Chlorine in PDB 5vfb: 1.36 Angstrom Resolution Crystal Structure of Malate Synthase G From Pseudomonas Aeruginosa in Complex with Glycolic Acid.

Enzymatic activity of 1.36 Angstrom Resolution Crystal Structure of Malate Synthase G From Pseudomonas Aeruginosa in Complex with Glycolic Acid.

All present enzymatic activity of 1.36 Angstrom Resolution Crystal Structure of Malate Synthase G From Pseudomonas Aeruginosa in Complex with Glycolic Acid.:
2.3.3.9;

Protein crystallography data

The structure of 1.36 Angstrom Resolution Crystal Structure of Malate Synthase G From Pseudomonas Aeruginosa in Complex with Glycolic Acid., PDB code: 5vfb was solved by G.Minasov, L.Shuvalova, I.Dubrovska, O.Kiryukhina, S.Grimshaw, K.Kwon, W.F.Anderson, Center For Structural Genomics Of Infectious Diseases(Csgid), with X-Ray Crystallography technique. A brief refinement statistics is given in the table below:

Resolution Low / High (Å) 29.62 / 1.36
Space group P 1 21 1
Cell size a, b, c (Å), α, β, γ (°) 63.385, 111.712, 96.954, 90.00, 100.42, 90.00
R / Rfree (%) 14.3 / 16.8

Other elements in 5vfb:

The structure of 1.36 Angstrom Resolution Crystal Structure of Malate Synthase G From Pseudomonas Aeruginosa in Complex with Glycolic Acid. also contains other interesting chemical elements:

Nickel (Ni) 2 atoms
Sodium (Na) 2 atoms

Chlorine Binding Sites:

The binding sites of Chlorine atom in the 1.36 Angstrom Resolution Crystal Structure of Malate Synthase G From Pseudomonas Aeruginosa in Complex with Glycolic Acid. (pdb code 5vfb). This binding sites where shown within 5.0 Angstroms radius around Chlorine atom.
In total 10 binding sites of Chlorine where determined in the 1.36 Angstrom Resolution Crystal Structure of Malate Synthase G From Pseudomonas Aeruginosa in Complex with Glycolic Acid., PDB code: 5vfb:
Jump to Chlorine binding site number: 1; 2; 3; 4; 5; 6; 7; 8; 9; 10;

Chlorine binding site 1 out of 10 in 5vfb

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Chlorine binding site 1 out of 10 in the 1.36 Angstrom Resolution Crystal Structure of Malate Synthase G From Pseudomonas Aeruginosa in Complex with Glycolic Acid.


Mono view


Stereo pair view

A full contact list of Chlorine with other atoms in the Cl binding site number 1 of 1.36 Angstrom Resolution Crystal Structure of Malate Synthase G From Pseudomonas Aeruginosa in Complex with Glycolic Acid. within 5.0Å range:
probe atom residue distance (Å) B Occ
A:Cl802

b:23.5
occ:1.00
 O A:HOH1415 2.9 27.1 0.6
O A:HOH1415 3.1 25.5 0.4
N A:VAL15 3.2 8.8 1.0
N A:LYS14 3.5 8.6 0.4
N A:LYS14 3.5 8.7 0.6
CG1 A:VAL15 3.6 9.9 1.0
CB A:VAL15 3.7 9.9 1.0
CB A:LYS14 3.8 9.7 0.4
O A:GLU3 3.8 14.2 1.0
CA A:LYS14 3.9 9.1 0.4
C A:LYS14 4.0 9.0 0.4
CA A:VAL15 4.0 9.2 1.0
CA A:LYS14 4.0 9.3 0.6
C A:LYS14 4.1 9.1 0.6
C A:ALA13 4.1 8.1 1.0
CB A:LYS14 4.1 10.2 0.6
CB A:ALA13 4.2 7.7 1.0
CG2 A:THR2 4.4 40.0 1.0
CA A:ALA13 4.4 7.8 1.0
N A:GLU3 4.5 23.5 1.0
O A:HOH1699 4.6 34.3 1.0
C A:GLU3 4.8 15.1 1.0
OD1 A:ASP283 4.9 18.4 1.0
O A:ALA13 4.9 7.9 1.0
CG A:LYS14 4.9 10.3 0.4

Chlorine binding site 2 out of 10 in 5vfb

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Chlorine binding site 2 out of 10 in the 1.36 Angstrom Resolution Crystal Structure of Malate Synthase G From Pseudomonas Aeruginosa in Complex with Glycolic Acid.


Mono view


Stereo pair view

A full contact list of Chlorine with other atoms in the Cl binding site number 2 of 1.36 Angstrom Resolution Crystal Structure of Malate Synthase G From Pseudomonas Aeruginosa in Complex with Glycolic Acid. within 5.0Å range:
probe atom residue distance (Å) B Occ
A:Cl803

b:17.2
occ:1.00
 O A:HOH940 2.9 33.1 1.0
O A:HOH1934 3.0 24.5 1.0
N A:ARG477 3.2 9.6 1.0
NE1 A:TRP587 3.3 12.6 1.0
CG A:ARG477 3.7 11.2 1.0
O A:HOH1761 3.7 31.9 1.0
CB A:ARG477 3.7 10.5 1.0
CB A:VAL476 3.8 8.9 1.0
CZ2 A:TRP587 3.9 11.5 1.0
CB A:ALA480 3.9 12.1 1.0
CA A:VAL476 3.9 8.9 1.0
CE2 A:TRP587 3.9 11.8 1.0
CD A:ARG477 4.1 12.4 1.0
C A:VAL476 4.1 9.0 1.0
CA A:ARG477 4.1 9.9 1.0
CG1 A:VAL476 4.3 9.2 1.0
CD1 A:TRP587 4.4 12.7 1.0
O A:HOH1652 4.5 19.1 1.0
O A:HOH1911 5.0 39.0 1.0

Chlorine binding site 3 out of 10 in 5vfb

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Chlorine binding site 3 out of 10 in the 1.36 Angstrom Resolution Crystal Structure of Malate Synthase G From Pseudomonas Aeruginosa in Complex with Glycolic Acid.


Mono view


Stereo pair view

A full contact list of Chlorine with other atoms in the Cl binding site number 3 of 1.36 Angstrom Resolution Crystal Structure of Malate Synthase G From Pseudomonas Aeruginosa in Complex with Glycolic Acid. within 5.0Å range:
probe atom residue distance (Å) B Occ
A:Cl804

b:17.4
occ:1.00
 O A:HOH1530 3.1 17.2 1.0
N A:ASP318 3.2 8.6 1.0
CG A:ASP318 3.7 10.3 1.0
NH2 A:ARG334 3.7 8.7 1.0
CA A:PRO317 3.7 8.4 1.0
OD1 A:ASP318 3.8 9.5 1.0
CD A:ARG383 3.9 12.5 1.0
C A:PRO317 3.9 8.3 1.0
CB A:ASP318 4.0 9.5 1.0
NH1 A:ARG383 4.0 18.5 1.0
OD2 A:ASP318 4.0 12.1 1.0
CB A:PRO317 4.1 8.9 1.0
CA A:ASP318 4.2 8.9 1.0
NH1 A:ARG334 4.2 9.4 1.0
CZ A:ARG334 4.3 8.5 1.0
NE A:ARG383 4.3 13.7 1.0
O A:SER382 4.4 10.6 1.0
CZ A:ARG383 4.4 16.5 1.0
O A:HOH1157 4.5 19.3 1.0
O A:HOH1095 4.5 26.8 1.0
O A:HOH1347 4.9 23.0 1.0
O A:HOH1072 4.9 26.7 1.0
O A:HOH1932 4.9 31.3 1.0
O A:ASN316 4.9 7.8 1.0
CA A:ARG383 4.9 10.2 1.0
N A:PRO317 5.0 8.2 1.0

Chlorine binding site 4 out of 10 in 5vfb

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Chlorine binding site 4 out of 10 in the 1.36 Angstrom Resolution Crystal Structure of Malate Synthase G From Pseudomonas Aeruginosa in Complex with Glycolic Acid.


Mono view


Stereo pair view

A full contact list of Chlorine with other atoms in the Cl binding site number 4 of 1.36 Angstrom Resolution Crystal Structure of Malate Synthase G From Pseudomonas Aeruginosa in Complex with Glycolic Acid. within 5.0Å range:
probe atom residue distance (Å) B Occ
A:Cl805

b:17.3
occ:1.00
 ND2 A:ASN705 2.8 5.2 1.0
O A:HOH1285 2.9 8.2 1.0
NH1 A:ARG57 2.9 5.1 1.0
CD A:ARG57 3.3 4.9 1.0
CE2 A:TYR707 3.6 5.2 1.0
CD2 A:TYR707 3.6 4.9 1.0
CD1 A:LEU345 3.7 7.5 1.0
CB A:PRO704 3.7 6.8 1.0
CZ A:ARG57 3.9 4.9 1.0
CG A:ASN705 3.9 5.9 1.0
NE A:ARG57 4.1 5.0 1.0
O A:PRO704 4.1 6.0 1.0
C A:PRO704 4.2 6.2 1.0
O A:HOH1207 4.2 9.2 1.0
CB A:ASN705 4.3 5.8 1.0
CD2 A:LEU54 4.4 5.6 1.0
CG A:PRO704 4.5 7.2 1.0
CB A:ARG57 4.5 4.9 1.0
CG A:ARG57 4.5 4.9 1.0
CA A:PRO704 4.6 6.8 1.0
CG A:LEU345 4.7 6.9 1.0
N A:ASN705 4.7 6.0 1.0
CD2 A:LEU345 4.8 7.3 1.0
OD1 A:ASP58 4.8 8.9 1.0
CZ A:TYR707 4.9 5.1 1.0
O A:HOH1863 4.9 16.5 1.0
CB A:LEU345 4.9 6.5 1.0
CG A:TYR707 5.0 5.0 1.0
OD1 A:ASN705 5.0 7.5 1.0

Chlorine binding site 5 out of 10 in 5vfb

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Chlorine binding site 5 out of 10 in the 1.36 Angstrom Resolution Crystal Structure of Malate Synthase G From Pseudomonas Aeruginosa in Complex with Glycolic Acid.


Mono view


Stereo pair view

A full contact list of Chlorine with other atoms in the Cl binding site number 5 of 1.36 Angstrom Resolution Crystal Structure of Malate Synthase G From Pseudomonas Aeruginosa in Complex with Glycolic Acid. within 5.0Å range:
probe atom residue distance (Å) B Occ
A:Cl806

b:14.8
occ:1.00
 O A:HOH1573 3.1 16.0 1.0
O A:HOH1999 3.1 17.2 1.0
O A:HOH1940 3.2 19.2 1.0
O A:HOH1220 3.2 9.4 1.0
O A:HOH1770 3.4 30.0 1.0
CE A:LYS511 3.6 7.0 1.0
CD A:LYS511 3.7 6.8 1.0
CB A:ALA533 3.9 7.8 1.0
CB A:GLU491 4.0 7.0 1.0
NZ A:LYS511 4.1 7.0 1.0
CG A:GLU491 4.2 7.5 1.0
CD2 A:HIS530 4.3 6.4 1.0
OE1 A:GLU491 4.3 8.0 1.0
CD A:GLU491 4.4 7.7 1.0
O A:HOH1477 4.6 31.2 1.0
O A:HOH1283 4.7 22.7 1.0
O A:GLY529 4.8 6.8 1.0
NE2 A:HIS530 4.8 6.8 1.0
O A:HOH1184 4.9 13.2 1.0

Chlorine binding site 6 out of 10 in 5vfb

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Chlorine binding site 6 out of 10 in the 1.36 Angstrom Resolution Crystal Structure of Malate Synthase G From Pseudomonas Aeruginosa in Complex with Glycolic Acid.


Mono view


Stereo pair view

A full contact list of Chlorine with other atoms in the Cl binding site number 6 of 1.36 Angstrom Resolution Crystal Structure of Malate Synthase G From Pseudomonas Aeruginosa in Complex with Glycolic Acid. within 5.0Å range:
probe atom residue distance (Å) B Occ
B:Cl804

b:21.9
occ:1.00
 O B:HOH1827 2.9 29.3 1.0
O B:HOH1140 3.0 31.1 1.0
N B:VAL15 3.3 9.9 1.0
N B:LYS14 3.5 9.8 0.6
N B:LYS14 3.5 9.5 0.4
O B:GLU3 3.6 17.9 1.0
N B:GLU3 3.6 25.0 1.0
CG1 B:VAL15 3.7 10.2 1.0
CB B:VAL15 3.8 10.2 1.0
CB B:LYS14 3.9 11.7 0.6
CA B:THR2 4.0 31.7 1.0
CA B:LYS14 4.0 10.5 0.6
CA B:LYS14 4.1 10.1 0.4
CB B:LYS14 4.1 10.8 0.4
C B:LYS14 4.1 10.1 0.6
C B:LYS14 4.1 10.0 0.4
CA B:VAL15 4.1 9.9 1.0
C B:ALA13 4.2 9.0 1.0
CB B:THR2 4.2 33.1 1.0
CB B:ALA13 4.3 7.9 1.0
C B:THR2 4.4 30.3 1.0
O B:HOH1532 4.5 22.2 1.0
CG2 B:THR2 4.5 33.4 1.0
CA B:ALA13 4.5 8.5 1.0
C B:GLU3 4.5 19.3 1.0
CA B:GLU3 4.6 22.8 1.0
O B:HOH1832 4.8 21.1 1.0
CB B:GLU3 4.8 25.8 1.0
OD1 B:ASP283 4.9 18.1 1.0
CG B:LYS14 5.0 12.9 0.6
O B:ALA13 5.0 9.1 1.0

Chlorine binding site 7 out of 10 in 5vfb

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Chlorine binding site 7 out of 10 in the 1.36 Angstrom Resolution Crystal Structure of Malate Synthase G From Pseudomonas Aeruginosa in Complex with Glycolic Acid.


Mono view


Stereo pair view

A full contact list of Chlorine with other atoms in the Cl binding site number 7 of 1.36 Angstrom Resolution Crystal Structure of Malate Synthase G From Pseudomonas Aeruginosa in Complex with Glycolic Acid. within 5.0Å range:
probe atom residue distance (Å) B Occ
B:Cl805

b:19.1
occ:1.00
 O B:HOH1907 2.9 29.4 1.0
N B:ARG477 3.3 11.1 1.0
NE1 B:TRP587 3.3 18.7 1.0
O B:HOH1817 3.5 41.6 1.0
CG B:ARG477 3.7 13.8 1.0
CB B:ARG477 3.8 12.5 1.0
CB B:VAL476 3.8 10.1 1.0
CZ2 B:TRP587 3.9 17.4 1.0
CA B:VAL476 3.9 9.9 1.0
CB B:ALA480 3.9 12.8 1.0
CE2 B:TRP587 4.0 18.0 1.0
C B:VAL476 4.1 10.6 1.0
CA B:ARG477 4.2 11.7 1.0
CD B:ARG477 4.2 15.0 1.0
CG1 B:VAL476 4.3 10.4 1.0
CD1 B:TRP587 4.5 19.1 1.0
O B:HOH1635 4.8 28.5 1.0

Chlorine binding site 8 out of 10 in 5vfb

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Chlorine binding site 8 out of 10 in the 1.36 Angstrom Resolution Crystal Structure of Malate Synthase G From Pseudomonas Aeruginosa in Complex with Glycolic Acid.


Mono view


Stereo pair view

A full contact list of Chlorine with other atoms in the Cl binding site number 8 of 1.36 Angstrom Resolution Crystal Structure of Malate Synthase G From Pseudomonas Aeruginosa in Complex with Glycolic Acid. within 5.0Å range:
probe atom residue distance (Å) B Occ
B:Cl806

b:33.5
occ:1.00
 N B:ASN236 2.9 7.4 1.0
O B:HOH1770 3.0 43.6 1.0
O B:HOH1438 3.2 27.3 1.0
OD1 B:ASN236 3.7 8.4 1.0
CD2 B:HIS235 3.7 8.2 1.0
CA B:HIS235 3.7 7.7 1.0
C B:HIS235 3.8 7.4 1.0
CA B:ASN236 3.8 7.3 1.0
O B:HOH1411 4.1 18.3 0.7
CG B:HIS235 4.2 7.9 1.0
NE2 B:HIS235 4.4 8.9 1.0
CB B:HIS235 4.5 7.9 1.0
CG B:ASN236 4.5 7.6 1.0
O B:HOH1039 4.6 24.5 1.0
CB B:ASN236 4.8 7.3 1.0
O B:LYS234 4.8 8.1 0.5
N B:HIS235 4.8 7.9 1.0
N B:GLY237 4.8 8.0 1.0
C B:ASN236 4.9 7.3 1.0
NE2 B:GLN217 4.9 11.4 1.0
O B:HIS235 5.0 7.3 1.0

Chlorine binding site 9 out of 10 in 5vfb

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Chlorine binding site 9 out of 10 in the 1.36 Angstrom Resolution Crystal Structure of Malate Synthase G From Pseudomonas Aeruginosa in Complex with Glycolic Acid.


Mono view


Stereo pair view

A full contact list of Chlorine with other atoms in the Cl binding site number 9 of 1.36 Angstrom Resolution Crystal Structure of Malate Synthase G From Pseudomonas Aeruginosa in Complex with Glycolic Acid. within 5.0Å range:
probe atom residue distance (Å) B Occ
B:Cl807

b:15.0
occ:1.00
 O B:HOH1865 3.1 22.5 1.0
O B:HOH1528 3.1 18.0 1.0
O B:HOH1912 3.2 13.4 1.0
O B:HOH1246 3.3 9.2 1.0
O B:HOH1767 3.5 30.9 1.0
CE B:LYS511 3.7 6.8 1.0
CD B:LYS511 3.7 6.5 1.0
CB B:ALA533 3.8 6.0 1.0
CB B:GLU491 3.9 6.6 1.0
CG B:GLU491 4.1 7.1 1.0
NZ B:LYS511 4.2 6.6 1.0
OE1 B:GLU491 4.3 7.6 1.0
CD2 B:HIS530 4.4 6.1 1.0
CD B:GLU491 4.4 7.6 1.0
O B:HOH1360 4.6 17.2 1.0
O B:HOH1639 4.7 20.5 0.6
O B:GLY529 4.8 5.9 1.0
NE2 B:HIS530 4.8 6.4 1.0
O B:HOH1305 4.9 11.8 1.0

Chlorine binding site 10 out of 10 in 5vfb

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Chlorine binding site 10 out of 10 in the 1.36 Angstrom Resolution Crystal Structure of Malate Synthase G From Pseudomonas Aeruginosa in Complex with Glycolic Acid.


Mono view


Stereo pair view

A full contact list of Chlorine with other atoms in the Cl binding site number 10 of 1.36 Angstrom Resolution Crystal Structure of Malate Synthase G From Pseudomonas Aeruginosa in Complex with Glycolic Acid. within 5.0Å range:
probe atom residue distance (Å) B Occ
B:Cl808

b:24.9
occ:1.00
 CB B:ASN197 3.9 27.8 1.0
CG B:ASN197 4.3 31.7 1.0
N B:ASN197 4.3 23.2 1.0
CA B:ASN197 4.4 25.3 1.0
ND2 B:ASN197 4.5 32.9 1.0
OD1 B:ASN197 4.8 35.8 1.0

Reference:

G.Minasov, L.Shuvalova, I.Dubrovska, O.Kiryukhina, S.Grimshaw, K.Kwon, W.F.Anderson, Center For Structural Genomics Of Infectious Diseases(Csgid). 1.36 Angstrom Resolution Crystal Structure of Malate Synthase G From Pseudomonas Aeruginosa in Complex with Glycolic Acid. To Be Published.
Page generated: Sat Dec 12 12:34:13 2020

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