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Sodium in PDB 6gjf: Ancestral Endocellulase CEL5A

Enzymatic activity of Ancestral Endocellulase CEL5A

All present enzymatic activity of Ancestral Endocellulase CEL5A:
3.2.1.4;

Protein crystallography data

The structure of Ancestral Endocellulase CEL5A, PDB code: 6gjf was solved by J.A.Gavira, R.Perez-Jimenez, N.Barruetabena-Garate, with X-Ray Crystallography technique. A brief refinement statistics is given in the table below:

Resolution Low / High (Å) 71.08 / 1.45
Space group P 1 21 1
Cell size a, b, c (Å), α, β, γ (°) 51.436, 235.636, 74.562, 90.00, 90.67, 90.00
R / Rfree (%) 11.8 / 15.3

Sodium Binding Sites:

The binding sites of Sodium atom in the Ancestral Endocellulase CEL5A (pdb code 6gjf). This binding sites where shown within 5.0 Angstroms radius around Sodium atom.
In total 10 binding sites of Sodium where determined in the Ancestral Endocellulase CEL5A, PDB code: 6gjf:
Jump to Sodium binding site number: 1; 2; 3; 4; 5; 6; 7; 8; 9; 10;

Sodium binding site 1 out of 10 in 6gjf

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Sodium binding site 1 out of 10 in the Ancestral Endocellulase CEL5A


Mono view


Stereo pair view

A full contact list of Sodium with other atoms in the Na binding site number 1 of Ancestral Endocellulase CEL5A within 5.0Å range:
probe atom residue distance (Å) B Occ
A:Na304

b:15.4
occ:1.00
O A:GLY124 2.2 16.5 1.0
OD1 A:ASP164 2.2 20.5 1.0
OD1 A:ASN165 2.2 11.2 0.4
O A:HOH522 2.2 18.7 1.0
O A:HOH643 2.3 26.0 1.0
OD1 A:ASP162 2.4 14.6 1.0
CG A:ASP162 3.2 13.9 1.0
ND2 A:ASN165 3.3 10.7 0.6
HD21 A:ASN165 3.3 12.8 0.6
CG A:ASN165 3.3 12.8 0.4
CG A:ASP164 3.3 18.6 1.0
C A:GLY124 3.4 13.6 1.0
H A:ASN165 3.4 14.1 0.6
H A:ASN165 3.4 14.3 0.4
H A:ASP164 3.5 17.0 1.0
HA A:ASN125 3.5 18.9 0.6
HD22 A:ASN165 3.5 12.8 0.6
HA A:ASN125 3.5 18.2 0.4
CG A:ASN165 3.6 11.9 0.6
OD2 A:ASP162 3.6 12.9 1.0
HD2 A:PRO163 3.7 19.9 1.0
O A:HOH411 3.8 43.3 1.0
OD2 A:ASP164 3.9 25.1 1.0
HA A:ASP162 4.0 16.9 1.0
N A:ASN165 4.0 11.8 0.6
OD1 A:ASN165 4.0 13.4 0.6
N A:ASN165 4.0 12.0 0.4
HB2 A:ASN165 4.0 13.7 0.6
HD21 A:ASN165 4.0 15.5 0.4
HE22 A:GLN8 4.1 25.7 1.0
ND2 A:ASN165 4.1 12.9 0.4
CA A:ASN125 4.2 15.7 0.6
CA A:ASN125 4.2 15.2 0.4
N A:ASN125 4.2 14.6 1.0
HA2 A:GLY124 4.2 18.2 1.0
HB2 A:ASN165 4.2 15.1 0.4
N A:ASP164 4.2 14.2 1.0
CB A:ASN165 4.3 11.4 0.6
CB A:ASN165 4.3 12.6 0.4
CA A:GLY124 4.3 15.2 1.0
CB A:ASP162 4.4 13.4 1.0
HA3 A:GLY124 4.4 18.2 1.0
CA A:ASP162 4.5 14.0 1.0
OE1 A:GLN8 4.5 18.4 1.0
C A:ASN125 4.5 13.7 1.0
CD A:PRO163 4.5 16.6 1.0
CB A:ASP164 4.6 17.2 1.0
HG2 A:PRO163 4.6 25.2 1.0
N A:PRO163 4.6 14.7 1.0
C A:ASP162 4.7 14.1 1.0
C A:ASP164 4.7 13.5 1.0
CA A:ASN165 4.7 11.1 0.6
CA A:ASP164 4.7 14.2 1.0
CA A:ASN165 4.7 11.6 0.4
O A:HOH427 4.7 35.9 1.0
HB2 A:ASP162 4.7 16.1 1.0
NE2 A:GLN8 4.7 21.4 1.0
O A:TYR126 4.8 15.0 1.0
HA A:ASN165 4.9 13.9 0.4
HA A:ASN165 4.9 13.3 0.6
N A:TYR126 4.9 13.8 1.0
HD22 A:ASN165 4.9 15.5 0.4
O A:HOH544 4.9 42.5 1.0
H A:TYR126 4.9 16.5 1.0
O A:ASN125 5.0 18.9 1.0
CD A:GLN8 5.0 18.6 1.0

Sodium binding site 2 out of 10 in 6gjf

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Sodium binding site 2 out of 10 in the Ancestral Endocellulase CEL5A


Mono view


Stereo pair view

A full contact list of Sodium with other atoms in the Na binding site number 2 of Ancestral Endocellulase CEL5A within 5.0Å range:
probe atom residue distance (Å) B Occ
A:Na305

b:17.0
occ:1.00
OE2 A:GLU132 2.7 11.2 1.0
HA A:ASN135 2.7 11.9 1.0
O A:HOH519 2.7 9.0 1.0
HB2 A:ALA194 2.8 13.6 1.0
O A:ASN135 2.9 11.0 1.0
HB3 A:ALA194 3.0 13.6 1.0
HG3 A:GLU132 3.0 12.8 1.0
HA2 A:GLY170 3.0 14.0 1.0
CB A:ALA194 3.2 11.3 1.0
HG2 A:GLU132 3.2 12.8 1.0
HG A:SER175 3.2 13.8 1.0
HB1 A:ALA194 3.3 13.6 1.0
O A:CYS134 3.3 11.2 1.0
HA3 A:GLY170 3.3 14.0 1.0
CG A:GLU132 3.4 10.7 1.0
HG1 A:THR223 3.4 13.4 1.0
CA A:ASN135 3.4 9.9 1.0
CD A:GLU132 3.5 10.8 1.0
CA A:GLY170 3.5 11.6 1.0
C A:ASN135 3.6 9.1 1.0
N A:GLY170 3.7 10.8 1.0
H A:GLY170 3.7 13.0 1.0
C A:CYS134 3.7 9.3 1.0
N A:ASN135 3.8 10.4 1.0
HE2 A:HIS196 4.0 12.7 1.0
H A:CYS134 4.0 11.1 1.0
HG22 A:ILE168 4.0 13.2 1.0
OG A:SER175 4.0 11.5 1.0
OG1 A:THR223 4.1 11.2 1.0
HE1 A:HIS196 4.3 12.6 1.0
C A:VAL169 4.3 9.2 1.0
NE2 A:HIS196 4.4 10.6 1.0
HH21 A:ARG59 4.4 13.5 1.0
H A:ASN135 4.5 12.5 1.0
CE1 A:HIS196 4.5 10.5 1.0
CA A:ALA194 4.7 10.8 1.0
OE1 A:GLU132 4.7 11.3 1.0
H A:ALA194 4.7 13.0 1.0
O A:VAL169 4.7 10.3 1.0
N A:CYS134 4.8 9.2 1.0
CB A:ASN135 4.8 10.6 1.0
O A:ILE168 4.8 10.3 1.0
N A:GLU136 4.8 11.1 1.0
HG21 A:THR223 4.8 13.2 1.0
HG21 A:ILE168 4.9 13.2 1.0
OD1 A:ASN135 4.9 11.1 1.0
CG2 A:ILE168 4.9 11.0 1.0
HA A:VAL169 4.9 12.2 1.0
CB A:GLU132 4.9 10.0 1.0
HB3 A:SER175 4.9 13.3 1.0
CA A:CYS134 4.9 10.4 1.0
HD3 A:PRO137 4.9 12.2 1.0
C A:GLY170 4.9 11.7 1.0
CB A:SER175 5.0 11.1 1.0
H A:THR171 5.0 13.4 1.0

Sodium binding site 3 out of 10 in 6gjf

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Sodium binding site 3 out of 10 in the Ancestral Endocellulase CEL5A


Mono view


Stereo pair view

A full contact list of Sodium with other atoms in the Na binding site number 3 of Ancestral Endocellulase CEL5A within 5.0Å range:
probe atom residue distance (Å) B Occ
B:Na302

b:17.0
occ:1.00
O B:HOH549 2.7 8.7 1.0
OE2 B:GLU132 2.7 10.7 1.0
HA B:ASN135 2.8 11.8 1.0
HB2 B:ALA194 2.8 13.8 1.0
O B:ASN135 2.9 10.1 1.0
HG3 B:GLU132 3.0 12.0 1.0
HB3 B:ALA194 3.1 13.8 1.0
HA2 B:GLY170 3.1 12.6 1.0
CB B:ALA194 3.2 11.5 1.0
HG2 B:GLU132 3.2 12.0 1.0
O B:CYS134 3.3 10.6 1.0
HA3 B:GLY170 3.3 12.6 1.0
HB1 B:ALA194 3.3 13.8 1.0
HG B:SER175 3.3 13.5 1.0
HG1 B:THR223 3.4 13.8 1.0
CG B:GLU132 3.4 10.0 1.0
CA B:GLY170 3.5 10.5 1.0
CA B:ASN135 3.5 9.9 1.0
CD B:GLU132 3.5 9.7 1.0
C B:ASN135 3.6 10.4 1.0
N B:GLY170 3.6 9.7 1.0
H B:GLY170 3.6 11.7 1.0
C B:CYS134 3.8 9.9 1.0
N B:ASN135 3.9 10.6 1.0
HG22 B:ILE168 3.9 12.8 1.0
HE2 B:HIS196 4.0 11.6 1.0
H B:CYS134 4.0 13.0 1.0
OG1 B:THR223 4.1 11.5 1.0
OG B:SER175 4.1 11.2 1.0
C B:VAL169 4.3 10.0 1.0
HE1 B:HIS196 4.3 13.1 1.0
NE2 B:HIS196 4.4 9.7 1.0
HH21 B:ARG59 4.4 13.5 1.0
H B:ASN135 4.5 12.7 1.0
CE1 B:HIS196 4.6 10.9 1.0
CA B:ALA194 4.7 9.7 1.0
OE1 B:GLU132 4.7 10.8 1.0
O B:VAL169 4.7 10.0 1.0
H B:ALA194 4.7 11.2 1.0
HG21 B:THR223 4.8 13.9 1.0
CG2 B:ILE168 4.8 10.6 1.0
HG21 B:ILE168 4.8 12.8 1.0
N B:CYS134 4.8 10.8 1.0
O B:ILE168 4.8 10.5 1.0
N B:GLU136 4.8 10.8 1.0
HA B:VAL169 4.8 12.1 1.0
HD3 B:PRO137 4.9 12.2 1.0
CB B:ASN135 4.9 11.4 1.0
CB B:GLU132 4.9 9.2 1.0
CA B:CYS134 4.9 11.3 1.0
OD1 B:ASN135 4.9 10.5 1.0
C B:GLY170 5.0 9.4 1.0
HB3 B:SER175 5.0 13.2 1.0

Sodium binding site 4 out of 10 in 6gjf

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Sodium binding site 4 out of 10 in the Ancestral Endocellulase CEL5A


Mono view


Stereo pair view

A full contact list of Sodium with other atoms in the Na binding site number 4 of Ancestral Endocellulase CEL5A within 5.0Å range:
probe atom residue distance (Å) B Occ
B:Na305

b:14.2
occ:1.00
O B:GLY124 2.1 15.9 1.0
O B:HOH577 2.2 17.5 1.0
O B:HOH632 2.2 19.1 1.0
OD1 B:ASP164 2.2 16.9 1.0
OD1 B:ASN165 2.2 13.7 0.5
OD1 B:ASP162 2.3 14.8 1.0
CG B:ASP162 3.1 14.8 1.0
ND2 B:ASN165 3.3 13.4 0.5
CG B:ASN165 3.3 11.4 0.5
CG B:ASP164 3.4 15.9 1.0
C B:GLY124 3.4 14.9 1.0
H B:ASN165 3.4 13.1 0.5
H B:ASN165 3.4 13.2 0.5
H B:ASP164 3.5 17.0 1.0
HA B:ASN125 3.5 21.9 0.5
HA B:ASN125 3.5 21.1 0.5
OD2 B:ASP162 3.6 13.0 1.0
CG B:ASN165 3.6 11.9 0.5
HE22 B:GLN8 3.8 22.1 1.0
OD2 B:ASP164 3.9 21.6 1.0
HD2 B:PRO163 3.9 22.3 1.0
OD1 B:ASN165 3.9 12.5 0.5
HA B:ASP162 3.9 16.8 1.0
O B:HOH411 4.0 40.3 1.0
N B:ASN165 4.0 10.9 0.5
N B:ASN165 4.0 11.0 0.5
HB2 B:ASN165 4.0 14.8 0.5
HD21 B:ASN165 4.0 12.8 0.5
ND2 B:ASN165 4.1 10.7 0.5
CA B:ASN125 4.2 18.2 0.5
CA B:ASN125 4.2 17.5 0.5
HB2 B:ASN165 4.2 14.4 0.5
HA2 B:GLY124 4.2 18.4 1.0
N B:ASN125 4.2 15.7 1.0
CB B:ASN165 4.3 12.3 0.5
N B:ASP164 4.3 14.2 1.0
CB B:ASN165 4.3 12.0 0.5
CA B:GLY124 4.3 15.3 1.0
HD22 B:ASN125 4.3 37.2 0.5
CB B:ASP162 4.3 13.7 1.0
O B:HOH695 4.3 37.8 1.0
HA3 B:GLY124 4.4 18.4 1.0
O B:HOH426 4.4 37.1 1.0
CA B:ASP162 4.5 14.0 1.0
NE2 B:GLN8 4.5 18.4 1.0
OE1 B:GLN8 4.5 16.7 1.0
C B:ASN125 4.6 17.9 1.0
CB B:ASP164 4.6 14.6 1.0
HB2 B:ASP162 4.6 16.5 1.0
CA B:ASN165 4.6 12.1 0.5
CA B:ASN165 4.6 11.9 0.5
C B:ASP164 4.7 12.9 1.0
CA B:ASP164 4.7 12.7 1.0
C B:ASP162 4.7 13.9 1.0
CD B:PRO163 4.7 18.6 1.0
N B:PRO163 4.7 14.9 1.0
O B:TYR126 4.8 15.0 1.0
HA B:ASN165 4.8 14.2 0.5
HA B:ASN165 4.8 14.5 0.5
CD B:GLN8 4.9 15.6 1.0
N B:TYR126 4.9 13.5 1.0
HD22 B:ASN165 4.9 12.8 0.5
H B:TYR126 4.9 16.2 1.0
O B:ASN125 5.0 18.9 1.0

Sodium binding site 5 out of 10 in 6gjf

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Sodium binding site 5 out of 10 in the Ancestral Endocellulase CEL5A


Mono view


Stereo pair view

A full contact list of Sodium with other atoms in the Na binding site number 5 of Ancestral Endocellulase CEL5A within 5.0Å range:
probe atom residue distance (Å) B Occ
C:Na302

b:17.6
occ:1.00
OD1 C:ASN165 2.1 14.0 0.4
O C:GLY124 2.2 19.7 1.0
OD1 C:ASP164 2.2 21.3 1.0
O C:HOH589 2.2 25.8 1.0
OD1 C:ASP162 2.3 17.4 1.0
O C:HOH494 2.3 21.4 1.0
CG C:ASP162 3.1 16.7 1.0
ND2 C:ASN165 3.2 15.6 0.6
CG C:ASN165 3.2 14.0 0.4
HD21 C:ASN165 3.2 18.8 0.6
H C:ASN165 3.4 19.6 0.6
H C:ASN165 3.4 19.4 0.4
CG C:ASP164 3.4 18.9 1.0
HD22 C:ASN165 3.4 18.8 0.6
C C:GLY124 3.4 18.3 1.0
HA C:ASN125 3.5 23.3 0.4
H C:ASP164 3.5 21.8 1.0
HA C:ASN125 3.5 23.4 0.6
CG C:ASN165 3.6 15.6 0.6
OD2 C:ASP162 3.6 16.1 1.0
HD2 C:PRO163 3.8 26.8 1.0
HA C:ASP162 3.9 21.0 1.0
OD2 C:ASP164 3.9 24.5 1.0
HD21 C:ASN165 3.9 14.8 0.4
HB2 C:ASN165 3.9 18.7 0.6
OD1 C:ASN165 3.9 15.7 0.6
HE22 C:GLN8 3.9 25.9 1.0
N C:ASN165 3.9 16.3 0.6
N C:ASN165 4.0 16.2 0.4
ND2 C:ASN165 4.0 12.3 0.4
CA C:ASN125 4.2 19.4 0.4
HB2 C:ASN165 4.2 17.1 0.4
CA C:ASN125 4.2 19.5 0.6
CB C:ASN165 4.2 15.6 0.6
CB C:ASN165 4.2 14.2 0.4
HA2 C:GLY124 4.2 21.6 1.0
N C:ASN125 4.3 17.8 1.0
CB C:ASP162 4.3 15.8 1.0
N C:ASP164 4.3 18.2 1.0
CA C:GLY124 4.3 18.0 1.0
CA C:ASP162 4.4 17.5 1.0
HA3 C:GLY124 4.4 21.6 1.0
OE1 C:GLN8 4.5 20.9 1.0
C C:ASN125 4.6 17.7 1.0
HB2 C:ASP162 4.6 18.9 1.0
NE2 C:GLN8 4.6 21.6 1.0
C C:ASP162 4.6 16.0 1.0
CB C:ASP164 4.6 20.0 1.0
CA C:ASN165 4.6 14.4 0.4
CA C:ASN165 4.6 14.8 0.6
N C:PRO163 4.6 18.0 1.0
CD C:PRO163 4.6 22.4 1.0
C C:ASP164 4.7 17.0 1.0
CA C:ASP164 4.7 18.5 1.0
HA C:ASN165 4.8 17.3 0.4
HD22 C:ASN165 4.8 14.8 0.4
HA C:ASN165 4.8 17.7 0.6
O C:TYR126 4.9 15.8 1.0
CD C:GLN8 4.9 19.8 1.0
O C:HOH407 4.9 48.2 1.0
N C:TYR126 4.9 17.4 1.0
O C:ASN125 5.0 20.3 1.0
H C:TYR126 5.0 20.9 1.0

Sodium binding site 6 out of 10 in 6gjf

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Sodium binding site 6 out of 10 in the Ancestral Endocellulase CEL5A


Mono view


Stereo pair view

A full contact list of Sodium with other atoms in the Na binding site number 6 of Ancestral Endocellulase CEL5A within 5.0Å range:
probe atom residue distance (Å) B Occ
D:Na300

b:16.6
occ:1.00
OD1 D:ASN165 2.1 15.7 0.5
O D:GLY124 2.2 18.1 1.0
OD1 D:ASP164 2.2 18.9 1.0
O D:HOH635 2.2 22.5 1.0
OD1 D:ASP162 2.3 16.9 1.0
O D:HOH497 2.3 20.4 1.0
CG D:ASP162 3.1 15.2 1.0
ND2 D:ASN165 3.2 12.3 0.5
HD21 D:ASN165 3.2 14.8 0.5
CG D:ASN165 3.3 14.1 0.5
CG D:ASP164 3.3 18.7 1.0
H D:ASN165 3.4 16.2 0.5
HD22 D:ASN165 3.4 14.8 0.5
C D:GLY124 3.4 16.6 1.0
H D:ASN165 3.4 16.5 0.5
HA D:ASN125 3.4 22.5 0.5
H D:ASP164 3.5 20.1 1.0
HA D:ASN125 3.5 22.1 0.5
CG D:ASN165 3.5 12.6 0.5
OD2 D:ASP162 3.6 14.4 1.0
HD2 D:PRO163 3.8 24.0 1.0
HA D:ASP162 3.9 19.6 1.0
OD2 D:ASP164 3.9 23.3 1.0
OD1 D:ASN165 3.9 11.9 0.5
HE22 D:GLN8 3.9 25.1 1.0
HB2 D:ASN165 3.9 15.3 0.5
N D:ASN165 4.0 13.5 0.5
N D:ASN165 4.0 13.8 0.5
HD21 D:ASN165 4.0 16.7 0.5
O D:HOH409 4.0 35.6 1.0
ND2 D:ASN165 4.1 13.9 0.5
CA D:ASN125 4.2 18.7 0.5
CA D:ASN125 4.2 18.4 0.5
HB2 D:ASN165 4.2 16.5 0.5
CB D:ASN165 4.2 12.8 0.5
N D:ASN125 4.2 18.1 1.0
N D:ASP164 4.3 16.7 1.0
CB D:ASN165 4.3 13.8 0.5
HA2 D:GLY124 4.3 19.9 1.0
CB D:ASP162 4.3 16.3 1.0
CA D:GLY124 4.3 16.6 1.0
CA D:ASP162 4.4 16.3 1.0
HA3 D:GLY124 4.4 19.9 1.0
OE1 D:GLN8 4.5 20.5 1.0
NE2 D:GLN8 4.5 20.9 1.0
CB D:ASP164 4.6 18.5 1.0
C D:ASN125 4.6 17.0 1.0
CD D:PRO163 4.6 20.0 1.0
HB2 D:ASP162 4.6 19.6 1.0
C D:ASP162 4.6 17.0 1.0
CA D:ASN165 4.6 13.4 0.5
CA D:ASN165 4.6 14.0 0.5
N D:PRO163 4.7 18.0 1.0
C D:ASP164 4.7 15.2 1.0
CA D:ASP164 4.7 15.6 1.0
HG2 D:PRO163 4.8 27.5 1.0
HA D:ASN165 4.8 16.8 0.5
HA D:ASN165 4.8 16.1 0.5
O D:TYR126 4.8 16.2 1.0
CD D:GLN8 4.9 19.7 1.0
HD22 D:ASN165 4.9 16.7 0.5
N D:TYR126 5.0 14.7 1.0
OD1 D:ASN125 5.0 22.9 0.5
O D:ASN125 5.0 21.5 1.0

Sodium binding site 7 out of 10 in 6gjf

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Sodium binding site 7 out of 10 in the Ancestral Endocellulase CEL5A


Mono view


Stereo pair view

A full contact list of Sodium with other atoms in the Na binding site number 7 of Ancestral Endocellulase CEL5A within 5.0Å range:
probe atom residue distance (Å) B Occ
D:Na301

b:17.1
occ:1.00
OE2 D:GLU132 2.7 10.9 1.0
HA D:ASN135 2.7 10.6 1.0
O D:HOH519 2.7 9.3 1.0
HB2 D:ALA194 2.8 13.3 1.0
HG3 D:GLU132 2.9 12.5 1.0
O D:ASN135 2.9 10.5 1.0
HB3 D:ALA194 3.0 13.3 1.0
HA2 D:GLY170 3.1 12.7 1.0
CB D:ALA194 3.2 11.1 1.0
HG D:SER175 3.3 13.1 1.0
HA3 D:GLY170 3.3 12.7 1.0
HG2 D:GLU132 3.3 12.5 1.0
O D:CYS134 3.3 10.8 1.0
HB1 D:ALA194 3.4 13.3 1.0
CG D:GLU132 3.4 10.4 1.0
HG1 D:THR223 3.4 12.9 1.0
CA D:ASN135 3.4 8.8 1.0
CD D:GLU132 3.5 10.0 1.0
CA D:GLY170 3.5 10.6 1.0
C D:ASN135 3.5 8.6 1.0
H D:GLY170 3.6 11.6 1.0
N D:GLY170 3.6 9.7 1.0
C D:CYS134 3.7 10.2 1.0
N D:ASN135 3.9 9.7 1.0
HG22 D:ILE168 3.9 13.6 1.0
HE2 D:HIS196 4.0 12.8 1.0
H D:CYS134 4.0 12.3 1.0
OG D:SER175 4.1 10.9 1.0
OG1 D:THR223 4.1 10.7 1.0
C D:VAL169 4.3 10.6 1.0
HE1 D:HIS196 4.3 11.9 1.0
NE2 D:HIS196 4.4 10.6 1.0
HH21 D:ARG59 4.4 12.3 1.0
H D:ASN135 4.6 11.6 1.0
CE1 D:HIS196 4.6 9.9 1.0
OE1 D:GLU132 4.7 10.3 1.0
CA D:ALA194 4.7 10.2 1.0
O D:VAL169 4.8 11.7 1.0
N D:CYS134 4.8 10.2 1.0
CG2 D:ILE168 4.8 11.3 1.0
H D:ALA194 4.8 11.9 1.0
HG21 D:THR223 4.8 13.8 1.0
O D:ILE168 4.8 11.1 1.0
CB D:ASN135 4.8 9.9 1.0
HG21 D:ILE168 4.8 13.6 1.0
N D:GLU136 4.8 10.1 1.0
CB D:GLU132 4.8 11.1 1.0
OD1 D:ASN135 4.9 10.7 1.0
HA D:VAL169 4.9 11.9 1.0
HD3 D:PRO137 4.9 13.7 1.0
CA D:CYS134 4.9 10.4 1.0
C D:GLY170 4.9 11.5 1.0
HB3 D:SER175 5.0 12.0 1.0

Sodium binding site 8 out of 10 in 6gjf

Go back to Sodium Binding Sites List in 6gjf
Sodium binding site 8 out of 10 in the Ancestral Endocellulase CEL5A


Mono view


Stereo pair view

A full contact list of Sodium with other atoms in the Na binding site number 8 of Ancestral Endocellulase CEL5A within 5.0Å range:
probe atom residue distance (Å) B Occ
E:Na304

b:16.9
occ:1.00
OE2 E:GLU132 2.7 10.9 1.0
HA E:ASN135 2.7 12.2 1.0
O E:HOH525 2.7 9.0 1.0
HB2 E:ALA194 2.8 13.9 1.0
HG3 E:GLU132 2.9 12.8 1.0
O E:ASN135 2.9 11.0 1.0
HB3 E:ALA194 3.1 13.9 1.0
HA2 E:GLY170 3.1 12.8 1.0
HG2 E:GLU132 3.2 12.8 1.0
CB E:ALA194 3.2 11.6 1.0
O E:CYS134 3.3 10.4 1.0
CG E:GLU132 3.3 10.6 1.0
HG E:SER175 3.3 14.8 1.0
HB1 E:ALA194 3.3 13.9 1.0
HA3 E:GLY170 3.4 12.8 1.0
HG1 E:THR223 3.4 13.3 1.0
CA E:ASN135 3.4 10.2 1.0
CD E:GLU132 3.4 10.7 1.0
CA E:GLY170 3.5 10.7 1.0
C E:ASN135 3.6 10.6 1.0
H E:GLY170 3.6 13.1 1.0
N E:GLY170 3.6 10.9 1.0
C E:CYS134 3.7 10.2 1.0
N E:ASN135 3.8 11.2 1.0
H E:CYS134 4.0 11.8 1.0
HE2 E:HIS196 4.0 12.5 1.0
HG22 E:ILE168 4.0 14.5 1.0
OG1 E:THR223 4.1 11.1 1.0
OG E:SER175 4.1 12.3 1.0
HE1 E:HIS196 4.3 14.6 1.0
C E:VAL169 4.3 10.7 1.0
HH21 E:ARG59 4.4 12.8 1.0
NE2 E:HIS196 4.4 10.4 1.0
H E:ASN135 4.5 13.4 1.0
CE1 E:HIS196 4.6 12.2 1.0
OE1 E:GLU132 4.6 10.4 1.0
N E:CYS134 4.7 9.8 1.0
CA E:ALA194 4.7 11.1 1.0
H E:ALA194 4.8 12.1 1.0
CB E:ASN135 4.8 10.8 1.0
O E:VAL169 4.8 10.6 1.0
HG21 E:THR223 4.8 14.1 1.0
O E:ILE168 4.8 11.0 1.0
OD1 E:ASN135 4.8 10.7 1.0
CB E:GLU132 4.8 10.9 1.0
N E:GLU136 4.8 11.8 1.0
HA E:VAL169 4.8 13.3 1.0
CG2 E:ILE168 4.9 12.1 1.0
CA E:CYS134 4.9 10.5 1.0
HG21 E:ILE168 4.9 14.5 1.0
HD3 E:PRO137 4.9 13.6 1.0

Sodium binding site 9 out of 10 in 6gjf

Go back to Sodium Binding Sites List in 6gjf
Sodium binding site 9 out of 10 in the Ancestral Endocellulase CEL5A


Mono view


Stereo pair view

A full contact list of Sodium with other atoms in the Na binding site number 9 of Ancestral Endocellulase CEL5A within 5.0Å range:
probe atom residue distance (Å) B Occ
E:Na305

b:16.3
occ:1.00
O E:GLY124 2.1 16.6 1.0
O E:HOH501 2.2 20.1 1.0
OD1 E:ASN165 2.2 11.3 0.5
OD1 E:ASP164 2.2 19.2 1.0
O E:HOH637 2.2 22.3 1.0
OD1 E:ASP162 2.3 14.8 1.0
ND2 E:ASN165 3.2 8.4 0.5
HD21 E:ASN165 3.2 10.1 0.5
CG E:ASP162 3.2 14.0 1.0
CG E:ASN165 3.3 12.4 0.5
CG E:ASP164 3.3 18.9 1.0
HD22 E:ASN165 3.3 10.1 0.5
C E:GLY124 3.4 15.2 1.0
H E:ASN165 3.4 15.5 0.5
H E:ASN165 3.4 15.8 0.5
H E:ASP164 3.4 18.8 1.0
HA E:ASN125 3.5 19.0 0.6
HA E:ASN125 3.5 18.7 0.4
CG E:ASN165 3.6 10.5 0.5
OD2 E:ASP162 3.6 12.9 1.0
OD2 E:ASP164 3.8 24.4 1.0
HD2 E:PRO163 3.9 20.6 1.0
N E:ASN165 3.9 12.9 0.5
N E:ASN165 3.9 13.2 0.5
HD21 E:ASN165 4.0 15.1 0.5
HB2 E:ASN165 4.0 15.2 0.5
HA E:ASP162 4.0 16.7 1.0
HE22 E:GLN8 4.0 28.9 1.0
OD1 E:ASN165 4.0 10.9 0.5
ND2 E:ASN165 4.1 12.6 0.5
CA E:ASN125 4.2 15.8 0.6
CA E:ASN125 4.2 15.6 0.4
N E:ASN125 4.2 15.0 1.0
HB2 E:ASN165 4.2 17.1 0.5
HA2 E:GLY124 4.2 18.0 1.0
N E:ASP164 4.2 15.7 1.0
CB E:ASN165 4.3 14.3 0.5
CB E:ASN165 4.3 12.7 0.5
CA E:GLY124 4.3 15.0 1.0
CB E:ASP162 4.4 14.4 1.0
HA3 E:GLY124 4.4 18.0 1.0
CA E:ASP162 4.5 13.9 1.0
CB E:ASP164 4.5 17.9 1.0
C E:ASN125 4.5 15.5 1.0
OE1 E:GLN8 4.5 17.9 1.0
O E:HOH433 4.5 39.5 1.0
C E:ASP164 4.6 13.9 1.0
CA E:ASN165 4.6 13.2 0.5
CA E:ASN165 4.6 12.5 0.5
CA E:ASP164 4.6 15.8 1.0
NE2 E:GLN8 4.6 24.1 1.0
CD E:PRO163 4.7 17.2 1.0
HB2 E:ASP162 4.7 17.3 1.0
N E:PRO163 4.7 15.8 1.0
C E:ASP162 4.7 13.0 1.0
O E:TYR126 4.8 14.5 1.0
HA E:ASN165 4.8 15.8 0.5
HA E:ASN165 4.8 15.0 0.5
HG2 E:PRO163 4.8 24.5 1.0
HD22 E:ASN165 4.9 15.1 0.5
O E:ASN125 4.9 18.2 1.0
CD E:GLN8 4.9 20.0 1.0
N E:TYR126 4.9 14.4 1.0
OD1 E:ASN125 5.0 26.1 0.4

Sodium binding site 10 out of 10 in 6gjf

Go back to Sodium Binding Sites List in 6gjf
Sodium binding site 10 out of 10 in the Ancestral Endocellulase CEL5A


Mono view


Stereo pair view

A full contact list of Sodium with other atoms in the Na binding site number 10 of Ancestral Endocellulase CEL5A within 5.0Å range:
probe atom residue distance (Å) B Occ
F:Na300

b:14.8
occ:1.00
O F:GLY124 2.2 17.3 1.0
OD1 F:ASN165 2.2 15.0 0.5
OD1 F:ASP162 2.2 16.4 1.0
OD1 F:ASP164 2.3 19.1 1.0
O F:HOH622 2.3 21.0 1.0
CG F:ASP162 3.1 14.0 1.0
ND2 F:ASN165 3.2 12.9 0.5
HD21 F:ASN165 3.2 15.5 0.5
CG F:ASN165 3.3 13.4 0.5
HD22 F:ASN165 3.3 15.5 0.5
C F:GLY124 3.4 15.6 1.0
H F:ASN165 3.4 15.9 0.5
CG F:ASP164 3.4 20.4 1.0
H F:ASN165 3.4 16.7 0.5
HA F:ASN125 3.5 19.7 0.5
HA F:ASN125 3.5 20.4 0.5
H F:ASP164 3.5 20.1 1.0
OD2 F:ASP162 3.6 13.8 1.0
CG F:ASN165 3.6 11.7 0.5
HD2 F:PRO163 3.9 25.5 1.0
HA F:ASP162 3.9 18.5 1.0
OD2 F:ASP164 3.9 24.0 1.0
HB2 F:ASN165 3.9 14.2 0.5
N F:ASN165 4.0 13.2 0.5
OD1 F:ASN165 4.0 12.2 0.5
N F:ASN165 4.0 13.9 0.5
HE22 F:GLN8 4.0 25.0 1.0
HD21 F:ASN165 4.0 16.8 0.5
ND2 F:ASN165 4.1 14.0 0.5
O F:HOH435 4.1 44.4 1.0
HB2 F:ASN165 4.1 16.3 0.5
CA F:ASN125 4.2 16.4 0.5
CA F:ASN125 4.2 17.0 0.5
N F:ASN125 4.2 15.1 1.0
CB F:ASN165 4.2 13.6 0.5
HA2 F:GLY124 4.2 18.1 1.0
CB F:ASN165 4.2 11.9 0.5
CB F:ASP162 4.3 14.9 1.0
N F:ASP164 4.3 16.8 1.0
CA F:GLY124 4.3 15.1 1.0
HA3 F:GLY124 4.4 18.1 1.0
O F:HOH412 4.4 40.9 1.0
CA F:ASP162 4.4 15.4 1.0
OE1 F:GLN8 4.5 19.4 1.0
C F:ASN125 4.6 17.0 1.0
HB2 F:ASP162 4.6 17.9 1.0
CB F:ASP164 4.6 18.4 1.0
C F:ASP162 4.6 15.2 1.0
CA F:ASN165 4.6 14.4 0.5
CA F:ASN165 4.6 13.6 0.5
NE2 F:GLN8 4.6 20.8 1.0
C F:ASP164 4.7 14.0 1.0
CD F:PRO163 4.7 21.2 1.0
CA F:ASP164 4.7 17.3 1.0
N F:PRO163 4.7 17.0 1.0
HD22 F:ASN125 4.7 32.4 0.5
HA F:ASN165 4.8 17.3 0.5
HA F:ASN165 4.8 16.3 0.5
O F:TYR126 4.9 14.7 1.0
HD22 F:ASN165 4.9 16.8 0.5
O F:HOH432 4.9 41.7 1.0
N F:TYR126 4.9 12.8 1.0
H F:TYR126 4.9 15.4 1.0
CD F:GLN8 4.9 19.2 1.0
HG2 F:PRO163 4.9 27.4 1.0

Reference:

N.Barruetabena-Garate, B.Alonso-Lerma, A.Galera-Prat, N.Joudeh, L.Barandiaran, L.Aldazabal, M.Arbulu, M.Alcalde, D.De Sancho, J.A.Gavira, M.Carrion-Vazquez, R.Perez-Jimenez. Resurrection of Efficient Precambrian Endoglucanases For Lignocellulosic Biomass Hydrolysis Commun Chem 2019.
ISSN: ESSN 2399-3669
DOI: 10.1038/S42004-019-0176-6
Page generated: Tue Dec 15 12:17:34 2020

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