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Sodium in PDB 6cqp: High Resolution Crystal Structure of Ftsy-Ng Domain of E. Coli

Protein crystallography data

The structure of High Resolution Crystal Structure of Ftsy-Ng Domain of E. Coli, PDB code: 6cqp was solved by C.Faoro, S.F.Ataide, with X-Ray Crystallography technique. A brief refinement statistics is given in the table below:

Resolution Low / High (Å) 44.22 / 1.45
Space group P 1 21 1
Cell size a, b, c (Å), α, β, γ (°) 34.697, 76.105, 108.871, 90.00, 93.64, 90.00
R / Rfree (%) 13.2 / 17.7

Sodium Binding Sites:

The binding sites of Sodium atom in the High Resolution Crystal Structure of Ftsy-Ng Domain of E. Coli (pdb code 6cqp). This binding sites where shown within 5.0 Angstroms radius around Sodium atom.
In total 9 binding sites of Sodium where determined in the High Resolution Crystal Structure of Ftsy-Ng Domain of E. Coli, PDB code: 6cqp:
Jump to Sodium binding site number: 1; 2; 3; 4; 5; 6; 7; 8; 9;

Sodium binding site 1 out of 9 in 6cqp

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Sodium binding site 1 out of 9 in the High Resolution Crystal Structure of Ftsy-Ng Domain of E. Coli


Mono view


Stereo pair view

A full contact list of Sodium with other atoms in the Na binding site number 1 of High Resolution Crystal Structure of Ftsy-Ng Domain of E. Coli within 5.0Å range:
probe atom residue distance (Å) B Occ
A:Na501

b:30.3
occ:1.00
H A:THR244 2.2 16.7 1.0
HG A:SER459 2.2 27.2 1.0
HA3 A:GLY241 2.5 24.8 1.0
OG1 A:THR244 2.8 15.3 1.0
OG A:SER459 3.0 22.7 1.0
N A:THR244 3.0 13.9 1.0
HB A:THR244 3.0 16.6 1.0
H A:GLU243 3.2 21.9 1.0
HB2 A:GLU243 3.2 35.1 1.0
CB A:THR244 3.3 13.8 1.0
CA A:GLY241 3.4 20.7 1.0
O A:VAL240 3.4 23.3 1.0
HG2 A:GLN463 3.4 36.3 1.0
C A:GLY241 3.5 18.9 1.0
HG1 A:THR244 3.5 18.4 1.0
HG3 A:GLN463 3.6 36.3 1.0
N A:GLU243 3.7 18.2 1.0
HA A:SER459 3.7 16.2 1.0
CA A:THR244 3.8 12.9 1.0
O A:GLY241 3.8 17.0 1.0
CG A:GLN463 3.8 30.2 1.0
HB2 A:SER459 3.8 20.3 1.0
N A:VAL242 3.9 18.9 1.0
CB A:SER459 3.9 16.9 1.0
CD A:GLN463 3.9 41.9 1.0
HA2 A:GLY241 3.9 24.8 1.0
H A:VAL242 4.0 22.6 1.0
C A:GLU243 4.0 15.5 1.0
OE1 A:GLN463 4.0 47.7 1.0
CB A:GLU243 4.1 29.3 1.0
CA A:GLU243 4.1 20.2 1.0
C A:VAL240 4.2 21.4 1.0
H A:THR245 4.3 15.6 1.0
CA A:SER459 4.3 13.5 1.0
N A:GLY241 4.3 20.6 1.0
HA A:THR244 4.4 15.5 1.0
C A:VAL242 4.4 18.8 1.0
NE2 A:GLN463 4.5 43.7 1.0
HB3 A:GLU243 4.6 35.1 1.0
CG2 A:THR244 4.8 13.9 1.0
HE21 A:GLN463 4.8 52.5 1.0
HB3 A:SER459 4.8 20.3 1.0
CA A:VAL242 4.8 19.3 1.0
N A:THR245 4.9 13.0 1.0
HG11 A:VAL428 4.9 32.9 1.0
C A:THR244 4.9 13.4 1.0
HG22 A:THR244 4.9 16.7 1.0
HE22 A:GLN463 4.9 52.5 1.0
O A:SER459 4.9 15.3 1.0
O A:HOH780 5.0 29.5 1.0
HG3 A:GLU243 5.0 48.1 1.0
HG12 A:VAL240 5.0 22.4 1.0

Sodium binding site 2 out of 9 in 6cqp

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Sodium binding site 2 out of 9 in the High Resolution Crystal Structure of Ftsy-Ng Domain of E. Coli


Mono view


Stereo pair view

A full contact list of Sodium with other atoms in the Na binding site number 2 of High Resolution Crystal Structure of Ftsy-Ng Domain of E. Coli within 5.0Å range:
probe atom residue distance (Å) B Occ
A:Na502

b:21.8
occ:1.00
O A:HOH849 2.7 39.1 1.0
H11 A:GOL504 2.9 29.9 1.0
C1 A:GOL504 3.6 24.9 1.0
O1 A:GOL504 3.8 25.1 1.0
H12 A:GOL504 4.0 29.9 1.0
HO2 A:GOL504 4.5 24.6 1.0
O A:HOH603 4.6 30.2 1.0
C2 A:GOL504 4.9 21.4 1.0
O2 A:GOL504 4.9 20.4 1.0

Sodium binding site 3 out of 9 in 6cqp

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Sodium binding site 3 out of 9 in the High Resolution Crystal Structure of Ftsy-Ng Domain of E. Coli


Mono view


Stereo pair view

A full contact list of Sodium with other atoms in the Na binding site number 3 of High Resolution Crystal Structure of Ftsy-Ng Domain of E. Coli within 5.0Å range:
probe atom residue distance (Å) B Occ
A:Na503

b:53.8
occ:1.00
O A:HOH772 2.8 41.9 1.0
HA A:ASP408 3.1 23.1 1.0
O A:LEU407 3.2 20.5 1.0
O A:HOH650 3.9 41.7 1.0
CA A:ASP408 4.0 19.2 1.0
HB2 A:ASP408 4.1 24.3 1.0
C A:LEU407 4.2 18.8 1.0
OD1 A:ASP408 4.3 21.8 1.0
H A:VAL409 4.3 24.0 1.0
CB A:ASP408 4.4 20.2 1.0
CG A:ASP408 4.4 22.1 1.0
O A:HOH948 4.5 46.7 1.0
HZ2 A:LYS372 4.5 25.7 1.0
N A:ASP408 4.5 17.7 1.0
HZ1 A:LYS372 4.6 25.7 1.0
HE3 A:LYS372 4.7 24.0 1.0
O A:HOH846 4.8 37.6 1.0
NZ A:LYS372 4.9 21.4 1.0
N A:VAL409 4.9 20.0 1.0

Sodium binding site 4 out of 9 in 6cqp

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Sodium binding site 4 out of 9 in the High Resolution Crystal Structure of Ftsy-Ng Domain of E. Coli


Mono view


Stereo pair view

A full contact list of Sodium with other atoms in the Na binding site number 4 of High Resolution Crystal Structure of Ftsy-Ng Domain of E. Coli within 5.0Å range:
probe atom residue distance (Å) B Occ
B:Na501

b:29.2
occ:1.00
H B:VAL324 2.2 14.3 1.0
HA B:SER323 2.7 17.8 1.0
HG3 B:GLU318 2.8 41.0 1.0
O B:HOH849 2.8 55.0 1.0
N B:VAL324 2.9 11.9 1.0
HG12 B:ILE349 2.9 19.9 1.0
HB B:VAL324 3.1 16.0 1.0
HB2 B:GLU318 3.1 31.2 1.0
O B:LYS322 3.1 21.2 1.0
HG22 B:VAL324 3.2 17.9 1.0
CA B:SER323 3.5 14.8 1.0
CG B:GLU318 3.5 34.2 1.0
CB B:VAL324 3.6 13.3 1.0
HA B:GLU318 3.7 27.1 1.0
C B:SER323 3.7 13.6 1.0
O B:HOH758 3.7 20.3 1.0
CB B:GLU318 3.7 26.0 1.0
CG2 B:VAL324 3.7 14.9 1.0
HG21 B:VAL324 3.8 17.9 1.0
CA B:VAL324 3.8 10.7 1.0
CG1 B:ILE349 3.8 16.5 1.0
HD11 B:ILE349 3.9 22.2 1.0
C B:LYS322 4.1 18.7 1.0
O B:VAL324 4.1 11.7 1.0
HG13 B:ILE349 4.1 19.9 1.0
CD B:GLU318 4.1 41.8 1.0
O B:HOH804 4.1 33.5 1.0
CA B:GLU318 4.2 22.6 1.0
CD1 B:ILE349 4.2 18.5 1.0
N B:SER323 4.3 14.5 1.0
HD13 B:ILE349 4.3 22.2 1.0
HG2 B:GLU318 4.3 41.0 1.0
OE2 B:GLU318 4.3 45.8 1.0
C B:VAL324 4.4 10.2 1.0
HG21 B:ILE349 4.4 18.5 1.0
HB2 B:SER323 4.5 19.8 1.0
HB3 B:GLU318 4.5 31.2 1.0
CB B:SER323 4.6 16.5 1.0
HA B:ILE349 4.6 16.3 1.0
HA B:VAL324 4.6 12.8 1.0
HG23 B:VAL324 4.7 17.9 1.0
HB3 B:SER323 4.8 19.8 1.0
O B:SER323 4.8 14.4 1.0
OE1 B:GLU318 4.9 45.6 1.0
CB B:ILE349 4.9 13.2 1.0
N B:GLU318 4.9 19.9 1.0

Sodium binding site 5 out of 9 in 6cqp

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Sodium binding site 5 out of 9 in the High Resolution Crystal Structure of Ftsy-Ng Domain of E. Coli


Mono view


Stereo pair view

A full contact list of Sodium with other atoms in the Na binding site number 5 of High Resolution Crystal Structure of Ftsy-Ng Domain of E. Coli within 5.0Å range:
probe atom residue distance (Å) B Occ
B:Na502

b:12.0
occ:1.00
OD1 B:ASP283 2.3 12.0 1.0
O B:PHE483 2.3 11.5 1.0
O B:HOH715 2.4 12.6 1.0
O B:ASP283 2.4 11.1 1.0
O A:HOH856 2.4 13.1 1.0
O B:HOH695 2.9 13.4 1.0
C B:ASP283 3.2 10.3 1.0
CG B:ASP283 3.2 10.6 1.0
HA B:ASP283 3.2 12.6 1.0
HA B:LYS484 3.3 13.0 1.0
HG3 B:PRO285 3.3 18.4 1.0
C B:PHE483 3.5 10.8 1.0
CA B:ASP283 3.6 10.4 1.0
HD3 B:PRO285 3.8 16.1 1.0
HD2 B:PHE483 3.9 13.1 1.0
HA B:PRO285 3.9 13.5 1.0
CB B:ASP283 4.0 10.0 1.0
OD2 B:ASP283 4.0 12.6 1.0
H B:ALA485 4.0 11.8 1.0
N B:PRO285 4.0 11.3 1.0
CG B:PRO285 4.1 15.3 1.0
HB3 B:PHE483 4.1 12.5 1.0
CA B:LYS484 4.1 10.9 1.0
HA2 A:GLY195 4.2 18.4 1.0
CD B:PRO285 4.2 13.4 1.0
C B:GLU284 4.2 11.2 1.0
HG2 B:LYS484 4.2 14.4 1.0
N B:GLU284 4.2 10.8 1.0
N B:LYS484 4.2 10.5 1.0
CA B:PRO285 4.4 11.2 1.0
HB3 B:ASP283 4.4 12.0 1.0
CD2 B:PHE483 4.4 10.9 1.0
O B:HOH670 4.5 12.9 1.0
O B:GLU284 4.5 11.8 1.0
N A:GLY195 4.5 17.2 1.0
CA B:PHE483 4.6 9.7 1.0
O A:HOH908 4.6 17.7 1.0
HB3 B:PRO285 4.6 15.6 1.0
CB B:PRO285 4.7 13.0 1.0
CA B:GLU284 4.7 11.2 1.0
CB B:PHE483 4.7 10.4 1.0
HA B:GLU284 4.7 13.5 1.0
N B:ALA485 4.7 9.8 1.0
O B:ILE468 4.7 10.7 1.0
HB2 B:ASP283 4.7 12.0 1.0
H B:PHE483 4.8 12.4 1.0
HG3 B:LYS484 4.8 14.4 1.0
HG2 B:PRO285 4.9 18.4 1.0
CA A:GLY195 4.9 15.3 1.0
CG B:LYS484 4.9 12.0 1.0
N B:PHE483 4.9 10.3 1.0
CG B:PHE483 4.9 10.8 1.0
H B:GLU284 4.9 12.9 1.0
C B:LYS484 5.0 10.0 1.0

Sodium binding site 6 out of 9 in 6cqp

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Sodium binding site 6 out of 9 in the High Resolution Crystal Structure of Ftsy-Ng Domain of E. Coli


Mono view


Stereo pair view

A full contact list of Sodium with other atoms in the Na binding site number 6 of High Resolution Crystal Structure of Ftsy-Ng Domain of E. Coli within 5.0Å range:
probe atom residue distance (Å) B Occ
B:Na503

b:19.9
occ:1.00
HD21 B:ASN347 2.3 20.8 1.0
HE B:ARG346 2.5 29.0 1.0
HH11 B:ARG346 3.0 23.6 1.0
O B:HOH897 3.1 50.2 1.0
HZ3 B:TRP343 3.1 20.3 1.0
ND2 B:ASN347 3.2 17.3 1.0
HD3 B:ARG315 3.2 42.0 1.0
NE B:ARG346 3.3 24.2 1.0
HH11 B:ARG315 3.3 53.4 1.0
HD11 B:ILE477 3.5 26.1 1.0
HE3 B:TRP343 3.5 19.4 1.0
CZ3 B:TRP343 3.6 16.9 1.0
NH1 B:ARG346 3.6 19.7 1.0
HD22 B:ASN347 3.7 20.8 1.0
NH1 B:ARG315 3.8 44.5 1.0
CE3 B:TRP343 3.8 16.2 1.0
OD1 B:ASN347 3.9 22.3 1.0
HB3 B:ARG346 3.9 27.8 1.0
CZ B:ARG346 3.9 19.0 1.0
HB2 B:ARG346 3.9 27.8 1.0
CG B:ASN347 3.9 17.2 1.0
HD2 B:ARG346 4.0 32.0 1.0
HH12 B:ARG315 4.1 53.4 1.0
CD B:ARG315 4.1 35.0 1.0
CD B:ARG346 4.2 26.7 1.0
HD13 B:ILE477 4.3 26.1 1.0
CD1 B:ILE477 4.3 21.7 1.0
CB B:ARG346 4.3 23.2 1.0
HH12 B:ARG346 4.4 23.6 1.0
HB2 B:ARG315 4.4 26.6 1.0
CZ B:ARG315 4.5 43.1 1.0
CH2 B:TRP343 4.6 17.4 1.0
NE B:ARG315 4.6 38.6 1.0
HD12 B:ILE477 4.6 26.1 1.0
HD2 B:ARG315 4.7 42.0 1.0
HG2 B:ARG315 4.7 34.9 1.0
HA B:TRP343 4.8 14.6 1.0
HH2 B:TRP343 4.8 20.9 1.0
CG B:ARG315 4.9 29.1 1.0
CD2 B:TRP343 4.9 13.9 1.0
CG B:ARG346 4.9 27.5 1.0

Sodium binding site 7 out of 9 in 6cqp

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Sodium binding site 7 out of 9 in the High Resolution Crystal Structure of Ftsy-Ng Domain of E. Coli


Mono view


Stereo pair view

A full contact list of Sodium with other atoms in the Na binding site number 7 of High Resolution Crystal Structure of Ftsy-Ng Domain of E. Coli within 5.0Å range:
probe atom residue distance (Å) B Occ
B:Na504

b:31.0
occ:1.00
HZ1 B:LYS405 2.2 28.9 1.0
O B:PRO412 2.8 11.1 1.0
HD2 B:PRO412 2.9 12.7 1.0
NZ B:LYS405 3.0 24.1 1.0
HZ3 B:LYS405 3.1 28.9 1.0
HZ2 B:LYS405 3.4 28.9 1.0
HG2 B:PRO412 3.6 13.2 1.0
CD B:PRO412 3.6 10.6 1.0
N B:PRO412 3.7 9.7 1.0
O B:GLU410 3.8 12.9 1.0
C B:PRO412 3.8 9.6 1.0
C B:ALA411 3.9 10.5 1.0
O B:ALA411 3.9 12.2 1.0
HE2 B:LYS405 4.0 29.9 1.0
CE B:LYS405 4.1 24.9 1.0
CG B:PRO412 4.1 11.0 1.0
O B:HOH685 4.3 17.3 1.0
HE3 B:LYS405 4.3 29.9 1.0
CA B:PRO412 4.3 9.1 1.0
C B:GLU410 4.4 11.9 1.0
HD3 B:PRO412 4.5 12.7 1.0
HA B:HIS413 4.6 10.8 1.0
HA B:ALA411 4.8 13.4 1.0
HG13 B:VAL401 4.8 18.5 1.0
CA B:ALA411 4.8 11.2 1.0
HA B:GLU410 4.8 13.4 1.0
CB B:PRO412 4.9 10.4 1.0
HG3 B:PRO412 4.9 13.2 1.0
N B:HIS413 4.9 10.1 1.0
N B:ALA411 4.9 10.8 1.0
O B:VAL409 4.9 12.4 1.0
HG22 B:VAL415 4.9 14.4 1.0

Sodium binding site 8 out of 9 in 6cqp

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Sodium binding site 8 out of 9 in the High Resolution Crystal Structure of Ftsy-Ng Domain of E. Coli


Mono view


Stereo pair view

A full contact list of Sodium with other atoms in the Na binding site number 8 of High Resolution Crystal Structure of Ftsy-Ng Domain of E. Coli within 5.0Å range:
probe atom residue distance (Å) B Occ
B:Na505

b:55.2
occ:1.00
O B:HOH981 2.5 55.3 1.0
O B:HOH934 2.5 42.3 1.0
O B:HOH1002 2.7 67.9 1.0
O B:HOH625 2.7 41.9 1.0
HE2 B:PHE228 2.9 22.9 1.0
HA B:ASP224 3.0 25.2 1.0
HD2 B:PHE228 3.5 20.3 1.0
CE2 B:PHE228 3.7 19.0 1.0
CA B:ASP224 3.8 21.0 1.0
C B:ASP224 3.9 19.3 1.0
HG21 B:ILE223 3.9 26.3 1.0
O B:HOH987 4.0 50.2 1.0
N B:ASP225 4.0 20.2 1.0
HG23 B:THR253 4.0 24.6 1.0
CD2 B:PHE228 4.0 16.9 1.0
H B:ASP225 4.0 24.3 1.0
OD1 B:ASP225 4.1 29.6 1.0
HA B:ASP225 4.3 25.0 1.0
O B:ASP224 4.4 18.7 1.0
N B:ASP224 4.4 20.7 1.0
O B:ILE223 4.4 25.4 1.0
O B:HOH995 4.4 47.4 1.0
O B:HOH683 4.4 38.5 1.0
CG B:ASP225 4.6 28.2 1.0
C B:ILE223 4.7 22.1 1.0
O B:HOH867 4.7 52.4 1.0
CA B:ASP225 4.7 20.8 1.0
O B:HOH713 4.7 30.2 1.0
HG21 B:THR253 4.8 24.6 1.0
O B:HOH999 4.8 38.9 1.0
CG2 B:THR253 4.8 20.5 1.0
CG2 B:ILE223 4.8 21.9 1.0
H B:ASP224 4.9 24.8 1.0
OD2 B:ASP225 4.9 31.3 1.0
CZ B:PHE228 4.9 20.0 1.0
HB2 B:ASP224 5.0 26.8 1.0
CB B:ASP224 5.0 22.3 1.0

Sodium binding site 9 out of 9 in 6cqp

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Sodium binding site 9 out of 9 in the High Resolution Crystal Structure of Ftsy-Ng Domain of E. Coli


Mono view


Stereo pair view

A full contact list of Sodium with other atoms in the Na binding site number 9 of High Resolution Crystal Structure of Ftsy-Ng Domain of E. Coli within 5.0Å range:
probe atom residue distance (Å) B Occ
B:Na506

b:45.6
occ:1.00
O B:HOH997 2.7 24.9 1.0
HB B:VAL342 2.8 15.2 1.0
HA B:GLN339 2.9 13.7 1.0
HG13 B:VAL342 2.9 15.0 1.0
O B:GLN339 2.9 12.4 1.0
HB3 B:GLN339 3.1 19.2 1.0
O B:HOH831 3.1 31.3 1.0
HD1 B:TRP343 3.2 21.3 1.0
HE1 B:TRP343 3.2 20.7 1.0
CD1 B:TRP343 3.4 17.7 1.0
NE1 B:TRP343 3.4 17.2 1.0
CA B:GLN339 3.5 11.4 1.0
HG2 B:GLN339 3.5 29.4 1.0
C B:GLN339 3.6 11.0 1.0
CB B:GLN339 3.6 16.0 1.0
CB B:VAL342 3.6 12.7 1.0
CG1 B:VAL342 3.7 12.5 1.0
H B:TRP343 4.0 14.0 1.0
CG B:GLN339 4.1 24.5 1.0
O B:HOH735 4.1 40.3 1.0
HG22 B:VAL342 4.1 15.2 1.0
HG12 B:VAL342 4.2 15.0 1.0
HH12 B:ARG346 4.3 23.6 1.0
HG11 B:VAL342 4.4 15.0 1.0
HH22 B:ARG346 4.4 23.2 1.0
CG B:TRP343 4.4 14.8 1.0
CE2 B:TRP343 4.4 15.9 1.0
CG2 B:VAL342 4.4 12.6 1.0
N B:TRP343 4.5 11.6 1.0
HB2 B:GLN339 4.5 19.2 1.0
HG3 B:GLN339 4.6 29.4 1.0
O B:HOH945 4.7 36.0 1.0
H B:VAL342 4.7 13.3 1.0
HG23 B:VAL342 4.8 15.2 1.0
CA B:VAL342 4.8 11.9 1.0
N B:LEU340 4.8 10.6 1.0
N B:GLN339 4.8 11.1 1.0
NH1 B:ARG346 4.9 19.7 1.0
NH2 B:ARG346 4.9 19.3 1.0
O B:HOH1018 4.9 38.1 1.0
CD2 B:TRP343 4.9 13.9 1.0
C B:VAL342 4.9 11.2 1.0
O B:HOH926 5.0 39.3 1.0

Reference:

C.Faoro, L.Wilkinson-White, A.H.Kwan, S.F.Ataide. Discovery of Fragments That Target Key Interactions in the Signal Recognition Particle (Srp) As Potential Leads For A New Class of Antibiotics. Plos One V. 13 00387 2018.
ISSN: ESSN 1932-6203
PubMed: 30044812
DOI: 10.1371/JOURNAL.PONE.0200387
Page generated: Tue Oct 8 06:40:02 2024

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