Chlorine in PDB 7sbc: Crystal Structure of A Gmp Synthase From Acinetobacter Baumannii AB5075-Uw

Enzymatic activity of Crystal Structure of A Gmp Synthase From Acinetobacter Baumannii AB5075-Uw

All present enzymatic activity of Crystal Structure of A Gmp Synthase From Acinetobacter Baumannii AB5075-Uw:
6.3.5.2;

Protein crystallography data

The structure of Crystal Structure of A Gmp Synthase From Acinetobacter Baumannii AB5075-Uw, PDB code: 7sbc was solved by Seattle Structural Genomics Center For Infectious Disease (Ssgcid), with X-Ray Crystallography technique. A brief refinement statistics is given in the table below:

Resolution Low / High (Å) 48.82 / 1.95
Space group P 1
Cell size a, b, c (Å), α, β, γ (°) 81, 83.18, 104.35, 98.91, 109.83, 106.84
R / Rfree (%) 17.7 / 20.9

Other elements in 7sbc:

The structure of Crystal Structure of A Gmp Synthase From Acinetobacter Baumannii AB5075-Uw also contains other interesting chemical elements:

Magnesium (Mg) 2 atoms

Chlorine Binding Sites:

Pages:

>>> Page 1 <<< Page 2, Binding sites: 11 - 12;

Binding sites:

The binding sites of Chlorine atom in the Crystal Structure of A Gmp Synthase From Acinetobacter Baumannii AB5075-Uw (pdb code 7sbc). This binding sites where shown within 5.0 Angstroms radius around Chlorine atom.
In total 12 binding sites of Chlorine where determined in the Crystal Structure of A Gmp Synthase From Acinetobacter Baumannii AB5075-Uw, PDB code: 7sbc:
Jump to Chlorine binding site number: 1; 2; 3; 4; 5; 6; 7; 8; 9; 10;

Chlorine binding site 1 out of 12 in 7sbc

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Chlorine binding site 1 out of 12 in the Crystal Structure of A Gmp Synthase From Acinetobacter Baumannii AB5075-Uw


Mono view


Stereo pair view

A full contact list of Chlorine with other atoms in the Cl binding site number 1 of Crystal Structure of A Gmp Synthase From Acinetobacter Baumannii AB5075-Uw within 5.0Å range:
probe atom residue distance (Å) B Occ
A:Cl602

b:32.4
occ:1.00
 O A:HOH1077 3.1 38.2 1.0
O D:HOH886 3.1 29.4 1.0
NZ A:LYS440 3.3 24.9 1.0
CA D:GLU473 3.5 24.2 1.0
CB D:GLU473 3.6 25.5 1.0
O D:HOH803 3.6 37.5 1.0
CE A:LYS440 3.8 22.6 1.0
N D:ALA442 3.8 21.0 1.0
N D:THR474 3.8 27.4 1.0
CG D:GLU473 3.9 25.6 1.0
O D:LYS440 3.9 20.0 1.0
C D:THR441 3.9 24.6 1.0
CA D:THR441 4.0 19.5 1.0
O D:THR474 4.1 32.2 1.0
C D:GLU473 4.2 28.9 1.0
CB D:ALA442 4.2 22.1 1.0
C D:LYS440 4.3 24.1 1.0
O A:HOH829 4.3 25.6 1.0
N D:THR441 4.4 20.9 1.0
CA D:ALA442 4.5 23.1 1.0
O A:HOH1084 4.5 37.8 1.0
O D:THR441 4.6 21.6 1.0
O D:VAL472 4.6 19.9 1.0
N D:GLU473 4.7 20.3 1.0
C D:THR474 4.9 36.2 1.0
CA D:THR474 5.0 29.9 1.0

Chlorine binding site 2 out of 12 in 7sbc

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Chlorine binding site 2 out of 12 in the Crystal Structure of A Gmp Synthase From Acinetobacter Baumannii AB5075-Uw


Mono view


Stereo pair view

A full contact list of Chlorine with other atoms in the Cl binding site number 2 of Crystal Structure of A Gmp Synthase From Acinetobacter Baumannii AB5075-Uw within 5.0Å range:
probe atom residue distance (Å) B Occ
A:Cl603

b:32.1
occ:1.00
 O A:HOH974 2.5 27.9 1.0
NZ A:LYS514 2.9 39.5 1.0
N A:ILE519 3.2 21.1 1.0
CE A:LYS514 3.4 37.4 1.0
CB A:THR518 3.6 26.6 1.0
CD A:LYS514 3.6 29.0 1.0
CA A:THR518 3.8 22.0 1.0
CB A:ILE519 3.9 21.9 1.0
C A:THR518 4.0 22.6 1.0
CG2 A:THR518 4.0 28.2 1.0
CG1 A:ILE519 4.0 22.7 1.0
CA A:ILE519 4.1 21.5 1.0
CD1 A:ILE519 4.3 27.0 1.0
N A:GLU520 4.7 18.8 1.0
CG A:LYS514 4.8 28.8 1.0
OG1 A:THR518 4.8 25.1 1.0
O A:PHE477 4.9 45.3 1.0
C A:ILE519 5.0 20.0 1.0

Chlorine binding site 3 out of 12 in 7sbc

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Chlorine binding site 3 out of 12 in the Crystal Structure of A Gmp Synthase From Acinetobacter Baumannii AB5075-Uw


Mono view


Stereo pair view

A full contact list of Chlorine with other atoms in the Cl binding site number 3 of Crystal Structure of A Gmp Synthase From Acinetobacter Baumannii AB5075-Uw within 5.0Å range:
probe atom residue distance (Å) B Occ
A:Cl604

b:35.9
occ:1.00
 O A:HOH893 3.0 19.9 1.0
N A:ASN265 3.1 25.3 1.0
O A:HOH1117 3.3 45.6 1.0
O A:HOH1061 3.4 35.1 1.0
O A:HOH1067 3.6 46.6 1.0
O A:HOH884 3.6 29.2 1.0
CD A:ARG422 3.8 19.6 1.0
CA A:LEU264 3.8 25.6 1.0
C A:LEU264 4.0 24.6 1.0
CA A:ASN265 4.0 26.2 1.0
CD1 A:LEU264 4.0 30.4 1.0
NE A:ARG422 4.1 19.5 1.0
O A:HOH789 4.2 36.3 1.0
O A:ARG263 4.2 21.1 1.0
OD1 A:ASN265 4.3 35.0 1.0
O A:HOH818 4.5 22.5 1.0
O A:HOH991 4.6 23.9 1.0
CG A:LEU264 4.6 27.3 1.0
N A:LEU264 4.7 23.9 1.0
CB A:LEU264 4.8 22.1 1.0
O A:HOH1040 4.8 39.6 1.0
O A:HOH913 4.8 23.0 1.0
C A:ARG263 4.8 21.4 1.0
CG A:ASN265 4.8 31.8 1.0
O A:HOH1032 4.9 41.4 1.0
CZ A:ARG422 5.0 22.1 1.0

Chlorine binding site 4 out of 12 in 7sbc

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Chlorine binding site 4 out of 12 in the Crystal Structure of A Gmp Synthase From Acinetobacter Baumannii AB5075-Uw


Mono view


Stereo pair view

A full contact list of Chlorine with other atoms in the Cl binding site number 4 of Crystal Structure of A Gmp Synthase From Acinetobacter Baumannii AB5075-Uw within 5.0Å range:
probe atom residue distance (Å) B Occ
B:Cl603

b:32.6
occ:1.00
 O C:HOH1058 3.0 37.5 1.0
O C:HOH840 3.2 33.1 1.0
NZ B:LYS440 3.3 28.3 1.0
CA C:GLU473 3.6 26.5 1.0
CB C:GLU473 3.7 24.7 1.0
N C:ALA442 3.7 19.1 1.0
N C:THR474 3.7 31.8 1.0
CG C:GLU473 3.8 24.6 1.0
CE B:LYS440 3.9 24.6 1.0
O C:LYS440 3.9 21.0 1.0
C C:THR441 3.9 21.5 1.0
CA C:THR441 3.9 23.1 1.0
O C:THR474 4.1 31.9 1.0
C C:GLU473 4.1 29.9 1.0
C C:LYS440 4.3 25.0 1.0
CB C:ALA442 4.3 22.4 1.0
N C:THR441 4.4 20.6 1.0
O B:HOH791 4.4 25.6 1.0
CA C:ALA442 4.5 21.5 1.0
O C:THR441 4.6 20.8 1.0
O C:VAL472 4.6 18.6 1.0
O B:HOH1057 4.7 42.6 1.0
N C:GLU473 4.8 20.3 1.0
C C:THR474 4.8 42.6 1.0
CA C:THR474 4.9 35.9 1.0

Chlorine binding site 5 out of 12 in 7sbc

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Chlorine binding site 5 out of 12 in the Crystal Structure of A Gmp Synthase From Acinetobacter Baumannii AB5075-Uw


Mono view


Stereo pair view

A full contact list of Chlorine with other atoms in the Cl binding site number 5 of Crystal Structure of A Gmp Synthase From Acinetobacter Baumannii AB5075-Uw within 5.0Å range:
probe atom residue distance (Å) B Occ
B:Cl604

b:41.9
occ:1.00
 O B:HOH921 2.7 29.3 1.0
NZ B:LYS514 3.1 44.7 1.0
N B:ILE519 3.3 25.4 1.0
CE B:LYS514 3.5 44.1 1.0
CD B:LYS514 3.8 37.4 1.0
CB B:THR518 3.8 32.4 1.0
CA B:THR518 3.9 27.1 1.0
CB B:ILE519 3.9 25.1 1.0
CG1 B:ILE519 4.0 28.3 1.0
C B:THR518 4.1 24.1 1.0
CA B:ILE519 4.2 18.8 1.0
CG2 B:THR518 4.3 35.4 1.0
CD1 B:ILE519 4.3 30.5 1.0
N B:GLU520 4.7 19.5 1.0
O D:HOH765 4.9 32.3 1.0

Chlorine binding site 6 out of 12 in 7sbc

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Chlorine binding site 6 out of 12 in the Crystal Structure of A Gmp Synthase From Acinetobacter Baumannii AB5075-Uw


Mono view


Stereo pair view

A full contact list of Chlorine with other atoms in the Cl binding site number 6 of Crystal Structure of A Gmp Synthase From Acinetobacter Baumannii AB5075-Uw within 5.0Å range:
probe atom residue distance (Å) B Occ
B:Cl605

b:35.0
occ:1.00
 O B:HOH822 3.1 21.4 1.0
N B:ASN265 3.1 23.8 1.0
O B:HOH1029 3.2 32.0 1.0
O B:HOH796 3.6 26.1 1.0
CA B:LEU264 3.7 21.8 1.0
CD1 B:LEU264 3.8 25.1 1.0
O B:HOH1058 3.8 40.5 1.0
CD B:ARG422 3.8 18.5 1.0
C B:LEU264 3.9 24.3 1.0
CA B:ASN265 4.0 26.0 1.0
NE B:ARG422 4.1 23.4 1.0
O B:HOH833 4.2 36.2 1.0
O B:ARG263 4.3 19.9 1.0
OD1 B:ASN265 4.3 31.0 1.0
O B:HOH846 4.4 21.3 1.0
CG B:LEU264 4.5 23.3 1.0
O B:HOH964 4.6 26.8 1.0
CB B:LEU264 4.6 20.2 1.0
O B:HOH879 4.7 24.0 1.0
N B:LEU264 4.7 19.0 1.0
MG B:MG602 4.8 45.6 1.0
C B:ARG263 4.8 19.8 1.0
CG B:ASN265 4.8 26.6 1.0

Chlorine binding site 7 out of 12 in 7sbc

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Chlorine binding site 7 out of 12 in the Crystal Structure of A Gmp Synthase From Acinetobacter Baumannii AB5075-Uw


Mono view


Stereo pair view

A full contact list of Chlorine with other atoms in the Cl binding site number 7 of Crystal Structure of A Gmp Synthase From Acinetobacter Baumannii AB5075-Uw within 5.0Å range:
probe atom residue distance (Å) B Occ
C:Cl602

b:34.4
occ:1.00
 O B:HOH893 3.0 29.4 1.0
NZ C:LYS440 3.5 27.4 1.0
CA B:GLU473 3.6 25.3 1.0
CB B:GLU473 3.7 25.5 1.0
O B:LYS440 3.8 22.8 1.0
N B:ALA442 3.8 21.0 1.0
N B:THR474 3.8 34.0 1.0
CE C:LYS440 3.9 28.9 1.0
C B:THR441 3.9 24.9 1.0
CG B:GLU473 3.9 21.0 1.0
CA B:THR441 4.0 23.8 1.0
C B:LYS440 4.2 23.9 1.0
C B:GLU473 4.2 31.9 1.0
O B:THR474 4.2 39.7 1.0
CB B:ALA442 4.4 21.7 1.0
N B:THR441 4.4 20.8 1.0
O C:HOH881 4.4 29.5 1.0
CA B:ALA442 4.5 24.0 1.0
O B:THR441 4.6 22.5 1.0
O B:VAL472 4.6 19.3 1.0
N B:GLU473 4.8 21.2 1.0
C B:THR474 4.9 47.8 1.0

Chlorine binding site 8 out of 12 in 7sbc

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Chlorine binding site 8 out of 12 in the Crystal Structure of A Gmp Synthase From Acinetobacter Baumannii AB5075-Uw


Mono view


Stereo pair view

A full contact list of Chlorine with other atoms in the Cl binding site number 8 of Crystal Structure of A Gmp Synthase From Acinetobacter Baumannii AB5075-Uw within 5.0Å range:
probe atom residue distance (Å) B Occ
C:Cl603

b:39.3
occ:1.00
 O C:HOH916 2.7 30.1 1.0
NZ C:LYS514 3.1 48.1 1.0
N C:ILE519 3.2 28.7 1.0
CE C:LYS514 3.6 40.9 1.0
CB C:THR518 3.7 31.3 1.0
CA C:THR518 3.8 29.4 1.0
CD C:LYS514 3.9 39.8 1.0
CB C:ILE519 3.9 25.7 1.0
CG1 C:ILE519 3.9 30.2 1.0
C C:THR518 4.0 28.9 1.0
CA C:ILE519 4.2 23.4 1.0
CG2 C:THR518 4.2 33.6 1.0
CD1 C:ILE519 4.3 36.9 1.0
O C:HOH1089 4.6 54.8 1.0
N C:GLU520 4.8 20.0 1.0
CG C:LYS514 4.9 41.4 1.0
O C:HOH997 5.0 32.2 1.0
OG1 C:THR518 5.0 33.4 1.0

Chlorine binding site 9 out of 12 in 7sbc

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Chlorine binding site 9 out of 12 in the Crystal Structure of A Gmp Synthase From Acinetobacter Baumannii AB5075-Uw


Mono view


Stereo pair view

A full contact list of Chlorine with other atoms in the Cl binding site number 9 of Crystal Structure of A Gmp Synthase From Acinetobacter Baumannii AB5075-Uw within 5.0Å range:
probe atom residue distance (Å) B Occ
C:Cl604

b:38.8
occ:1.00
 O C:HOH784 3.1 25.6 1.0
N C:ASN265 3.1 24.8 1.0
O C:HOH1050 3.4 38.4 1.0
O C:HOH856 3.6 30.3 1.0
CA C:LEU264 3.8 24.4 1.0
CD C:ARG422 3.8 25.9 1.0
C C:LEU264 4.0 29.9 1.0
CA C:ASN265 4.0 27.8 1.0
CD1 C:LEU264 4.0 30.1 1.0
O C:HOH842 4.1 36.2 1.0
O C:ARG263 4.2 22.8 1.0
NE C:ARG422 4.2 25.2 1.0
OD1 C:ASN265 4.3 29.2 1.0
O C:HOH858 4.5 22.1 1.0
O C:HOH980 4.6 28.0 1.0
CG C:LEU264 4.6 26.5 1.0
O C:HOH1008 4.7 38.6 1.0
N C:LEU264 4.7 24.6 1.0
CB C:LEU264 4.7 25.7 1.0
CG C:ASN265 4.8 32.2 1.0
C C:ARG263 4.8 22.8 1.0
O C:HOH876 4.8 26.9 1.0

Chlorine binding site 10 out of 12 in 7sbc

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Chlorine binding site 10 out of 12 in the Crystal Structure of A Gmp Synthase From Acinetobacter Baumannii AB5075-Uw


Mono view


Stereo pair view

A full contact list of Chlorine with other atoms in the Cl binding site number 10 of Crystal Structure of A Gmp Synthase From Acinetobacter Baumannii AB5075-Uw within 5.0Å range:
probe atom residue distance (Å) B Occ
D:Cl603

b:36.2
occ:1.00
 O A:HOH889 3.2 28.9 1.0
O A:HOH1094 3.2 43.5 1.0
NZ D:LYS440 3.5 30.1 1.0
CA A:GLU473 3.6 25.1 1.0
CB A:GLU473 3.7 22.8 1.0
N A:ALA442 3.8 22.2 1.0
N A:THR474 3.8 26.1 1.0
CG A:GLU473 3.9 20.8 1.0
CE D:LYS440 3.9 28.5 1.0
O A:LYS440 4.0 19.8 1.0
C A:THR441 4.0 21.0 1.0
CA A:THR441 4.1 20.5 1.0
O A:THR474 4.2 33.2 1.0
C A:GLU473 4.2 30.5 1.0
CB A:ALA442 4.2 22.2 1.0
O D:HOH836 4.4 29.4 1.0
C A:LYS440 4.4 22.0 1.0
CA A:ALA442 4.5 24.8 1.0
N A:THR441 4.5 18.1 1.0
O D:HOH1041 4.6 41.2 1.0
O A:VAL472 4.6 21.1 1.0
O A:THR441 4.8 21.4 1.0
N A:GLU473 4.8 19.3 1.0
C A:THR474 4.8 34.2 1.0
CA A:THR474 5.0 32.0 1.0

Reference:

T.E.Edwards, J.Abendroth, P.S.Horanyi, D.D.Lorimer, Seattle Structural Genomics Center For Infectious Disease(Ssgcid). Crystal Structure of A Gmp Synthase From Acinetobacter Baumannii AB5075-Uw To Be Published.
Page generated: Fri Nov 5 12:43:33 2021

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