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Sodium in PDB 4jqt: Crystal Structure of A Putative Glycosyl Hydrolase (BT3469) From Bacteroides Thetaiotaomicron Vpi-5482 at 2.49 A Resolution

Protein crystallography data

The structure of Crystal Structure of A Putative Glycosyl Hydrolase (BT3469) From Bacteroides Thetaiotaomicron Vpi-5482 at 2.49 A Resolution, PDB code: 4jqt was solved by Joint Center For Structural Genomics (Jcsg), with X-Ray Crystallography technique. A brief refinement statistics is given in the table below:

Resolution Low / High (Å) 29.22 / 2.49
Space group P 21 21 21
Cell size a, b, c (Å), α, β, γ (°) 85.554, 87.648, 141.824, 90.00, 90.00, 90.00
R / Rfree (%) 16.7 / 21.4

Sodium Binding Sites:

The binding sites of Sodium atom in the Crystal Structure of A Putative Glycosyl Hydrolase (BT3469) From Bacteroides Thetaiotaomicron Vpi-5482 at 2.49 A Resolution (pdb code 4jqt). This binding sites where shown within 5.0 Angstroms radius around Sodium atom.
In total 4 binding sites of Sodium where determined in the Crystal Structure of A Putative Glycosyl Hydrolase (BT3469) From Bacteroides Thetaiotaomicron Vpi-5482 at 2.49 A Resolution, PDB code: 4jqt:
Jump to Sodium binding site number: 1; 2; 3; 4;

Sodium binding site 1 out of 4 in 4jqt

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Sodium binding site 1 out of 4 in the Crystal Structure of A Putative Glycosyl Hydrolase (BT3469) From Bacteroides Thetaiotaomicron Vpi-5482 at 2.49 A Resolution


Mono view


Stereo pair view

A full contact list of Sodium with other atoms in the Na binding site number 1 of Crystal Structure of A Putative Glycosyl Hydrolase (BT3469) From Bacteroides Thetaiotaomicron Vpi-5482 at 2.49 A Resolution within 5.0Å range:
probe atom residue distance (Å) B Occ
A:Na501

b:41.0
occ:1.00
OE1 A:GLU109 2.2 51.9 1.0
OE1 A:GLN107 2.4 51.4 1.0
O A:SER86 2.6 53.4 1.0
OD1 A:ASN85 2.6 60.5 1.0
OE1 A:GLN185 2.7 43.7 1.0
O A:HOH791 3.0 39.5 1.0
O A:HOH790 3.1 36.9 1.0
C A:SER86 3.3 54.3 1.0
CD A:GLU109 3.4 61.4 1.0
CD A:GLN107 3.5 45.1 1.0
CG A:ASN85 3.6 73.9 1.0
CD A:GLN185 3.7 52.6 1.0
NE2 A:GLN107 3.9 38.7 1.0
OE2 A:GLU109 4.0 52.2 1.0
N A:GLY87 4.0 47.9 1.0
ND2 A:ASN85 4.0 65.2 1.0
NE2 A:GLN185 4.0 52.0 1.0
CA A:SER86 4.1 54.2 1.0
N A:SER86 4.1 57.6 1.0
CA A:GLY87 4.2 44.9 1.0
CG A:GLU109 4.6 48.6 1.0
CA A:GLU109 4.7 38.7 1.0
N A:ILE110 4.7 46.1 1.0
CG A:GLN107 4.7 38.1 1.0
C A:ASN85 4.7 64.6 1.0
CB A:ASN85 4.9 64.0 1.0
O A:ILE110 4.9 54.5 1.0
CB A:GLU109 5.0 41.1 1.0

Sodium binding site 2 out of 4 in 4jqt

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Sodium binding site 2 out of 4 in the Crystal Structure of A Putative Glycosyl Hydrolase (BT3469) From Bacteroides Thetaiotaomicron Vpi-5482 at 2.49 A Resolution


Mono view


Stereo pair view

A full contact list of Sodium with other atoms in the Na binding site number 2 of Crystal Structure of A Putative Glycosyl Hydrolase (BT3469) From Bacteroides Thetaiotaomicron Vpi-5482 at 2.49 A Resolution within 5.0Å range:
probe atom residue distance (Å) B Occ
A:Na502

b:29.5
occ:1.00
OE1 A:GLN335 2.3 25.4 1.0
OE2 A:GLU333 2.3 27.8 1.0
O A:SER312 2.4 22.3 1.0
OE1 A:GLN432 2.5 28.8 1.0
OD1 A:ASN311 2.6 31.3 1.0
O A:HOH613 2.9 26.2 1.0
C A:SER312 3.3 22.7 1.0
CD A:GLU333 3.4 35.3 1.0
CD A:GLN335 3.4 27.3 1.0
CD A:GLN432 3.5 29.2 1.0
CG A:ASN311 3.7 30.2 1.0
OE1 A:GLU333 3.8 31.5 1.0
NE2 A:GLN335 3.9 14.0 1.0
NE2 A:GLN432 4.0 20.9 1.0
N A:SER312 4.0 19.8 1.0
CA A:SER312 4.1 19.6 1.0
N A:GLY313 4.2 18.3 1.0
ND2 A:ASN311 4.2 24.6 1.0
CA A:GLY313 4.3 17.2 1.0
O A:ILE336 4.3 21.8 1.0
CD2 A:HIS434 4.5 29.7 1.0
N A:ILE336 4.6 22.0 1.0
CG A:GLU333 4.6 21.5 1.0
CG A:GLN335 4.7 20.2 1.0
CA A:GLN335 4.7 20.2 1.0
CG A:GLN432 4.8 19.8 1.0
C A:ASN311 4.9 24.7 1.0
CD1 A:TYR359 4.9 19.9 1.0
CB A:ASN311 5.0 19.2 1.0

Sodium binding site 3 out of 4 in 4jqt

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Sodium binding site 3 out of 4 in the Crystal Structure of A Putative Glycosyl Hydrolase (BT3469) From Bacteroides Thetaiotaomicron Vpi-5482 at 2.49 A Resolution


Mono view


Stereo pair view

A full contact list of Sodium with other atoms in the Na binding site number 3 of Crystal Structure of A Putative Glycosyl Hydrolase (BT3469) From Bacteroides Thetaiotaomicron Vpi-5482 at 2.49 A Resolution within 5.0Å range:
probe atom residue distance (Å) B Occ
B:Na501

b:36.7
occ:1.00
OE1 B:GLU109 2.2 36.5 1.0
OE1 B:GLN107 2.2 49.7 1.0
O B:SER86 2.3 41.6 1.0
O B:HOH650 2.6 28.0 1.0
OD1 B:ASN85 2.8 56.2 1.0
OE1 B:GLN185 2.9 58.9 1.0
O B:HOH718 3.3 22.6 1.0
CD B:GLN107 3.3 52.9 1.0
CD B:GLU109 3.4 59.8 1.0
C B:SER86 3.4 42.6 1.0
CG B:ASN85 3.7 66.1 1.0
NE2 B:GLN107 3.8 40.1 1.0
CD B:GLN185 3.9 59.9 1.0
OE2 B:GLU109 3.9 54.5 1.0
NE2 B:GLN185 4.1 47.2 1.0
ND2 B:ASN85 4.1 55.2 1.0
N B:GLY87 4.3 36.6 1.0
CA B:GLY87 4.3 34.4 1.0
CA B:SER86 4.4 42.2 1.0
N B:SER86 4.5 44.3 1.0
CG B:GLN107 4.6 44.8 1.0
CG B:GLU109 4.6 48.9 1.0
CA B:GLU109 4.7 34.0 1.0
CD2 B:HIS187 4.7 53.2 1.0
N B:ILE110 4.8 32.5 1.0
CB B:GLU109 4.9 36.2 1.0
C B:ASN85 5.0 49.5 1.0

Sodium binding site 4 out of 4 in 4jqt

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Sodium binding site 4 out of 4 in the Crystal Structure of A Putative Glycosyl Hydrolase (BT3469) From Bacteroides Thetaiotaomicron Vpi-5482 at 2.49 A Resolution


Mono view


Stereo pair view

A full contact list of Sodium with other atoms in the Na binding site number 4 of Crystal Structure of A Putative Glycosyl Hydrolase (BT3469) From Bacteroides Thetaiotaomicron Vpi-5482 at 2.49 A Resolution within 5.0Å range:
probe atom residue distance (Å) B Occ
B:Na502

b:24.4
occ:1.00
OE1 B:GLN335 2.2 15.3 1.0
OE2 B:GLU333 2.3 28.8 1.0
O B:SER312 2.4 27.3 1.0
OD1 B:ASN311 2.6 30.9 1.0
OE1 B:GLN432 2.6 28.2 1.0
O B:HOH798 2.9 32.4 1.0
C B:SER312 3.3 27.4 1.0
CD B:GLU333 3.4 30.1 1.0
CD B:GLN335 3.4 24.9 1.0
CD B:GLN432 3.6 33.5 1.0
O B:HOH639 3.7 49.1 1.0
CG B:ASN311 3.7 40.9 1.0
OE1 B:GLU333 3.8 34.2 1.0
NE2 B:GLN335 3.9 18.0 1.0
NE2 B:GLN432 4.0 24.1 1.0
N B:SER312 4.1 21.9 1.0
CA B:SER312 4.1 21.9 1.0
N B:GLY313 4.2 23.2 1.0
ND2 B:ASN311 4.2 34.5 1.0
O B:ILE336 4.3 25.1 1.0
CA B:GLY313 4.3 22.5 1.0
N B:ILE336 4.5 21.7 1.0
CD2 B:HIS434 4.5 28.9 1.0
CG B:GLU333 4.6 24.0 1.0
CG B:GLN335 4.6 18.9 1.0
CA B:GLN335 4.7 17.7 1.0
C B:ASN311 4.9 27.5 1.0
CD1 B:TYR359 4.9 18.5 1.0
CG B:GLN432 4.9 25.3 1.0
CB B:GLN335 4.9 18.9 1.0
CB B:ASN311 5.0 25.6 1.0

Reference:

Joint Center For Structural Genomics (Jcsg), Joint Center For Structural Genomics (Jcsg). N/A N/A.
Page generated: Mon Oct 7 16:21:22 2024

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