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Chlorine in PDB 3rk8: Crystal Structure of the Chloride Inhibited Dihydrodipicolinate Synthase From Acinetobacter Baumannii Complexed with Pyruvate at 1.8 A Resolution

Enzymatic activity of Crystal Structure of the Chloride Inhibited Dihydrodipicolinate Synthase From Acinetobacter Baumannii Complexed with Pyruvate at 1.8 A Resolution

All present enzymatic activity of Crystal Structure of the Chloride Inhibited Dihydrodipicolinate Synthase From Acinetobacter Baumannii Complexed with Pyruvate at 1.8 A Resolution:
4.2.1.52;

Protein crystallography data

The structure of Crystal Structure of the Chloride Inhibited Dihydrodipicolinate Synthase From Acinetobacter Baumannii Complexed with Pyruvate at 1.8 A Resolution, PDB code: 3rk8 was solved by S.Kaushik, A.Singh, M.Sinha, P.Kaur, S.Sharma, T.P.Singh, with X-Ray Crystallography technique. A brief refinement statistics is given in the table below:

Resolution Low / High (Å) 47.12 / 1.80
Space group P 1 21 1
Cell size a, b, c (Å), α, β, γ (°) 51.251, 122.266, 52.564, 90.00, 116.31, 90.00
R / Rfree (%) 14.8 / 18.8

Chlorine Binding Sites:

The binding sites of Chlorine atom in the Crystal Structure of the Chloride Inhibited Dihydrodipicolinate Synthase From Acinetobacter Baumannii Complexed with Pyruvate at 1.8 A Resolution (pdb code 3rk8). This binding sites where shown within 5.0 Angstroms radius around Chlorine atom.
In total 2 binding sites of Chlorine where determined in the Crystal Structure of the Chloride Inhibited Dihydrodipicolinate Synthase From Acinetobacter Baumannii Complexed with Pyruvate at 1.8 A Resolution, PDB code: 3rk8:
Jump to Chlorine binding site number: 1; 2;

Chlorine binding site 1 out of 2 in 3rk8

Go back to Chlorine Binding Sites List in 3rk8
Chlorine binding site 1 out of 2 in the Crystal Structure of the Chloride Inhibited Dihydrodipicolinate Synthase From Acinetobacter Baumannii Complexed with Pyruvate at 1.8 A Resolution


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 the Chloride Inhibited Dihydrodipicolinate Synthase From Acinetobacter Baumannii Complexed with Pyruvate at 1.8 A Resolution within 5.0Å range:
probe atom residue distance (Å) B Occ
A:Cl299

b:18.8
occ:1.00
 O A:HOH403 2.9 12.9 1.0
NZ A:LYS161 3.0 11.7 1.0
O A:HOH417 3.1 11.3 1.0
O A:HOH564 3.4 43.2 1.0
CD2 A:LEU101 3.4 12.9 1.0
N A:THR44 3.7 9.2 1.0
CA A:GLY43 3.9 10.4 1.0
CG1 A:VAL40 3.9 7.9 1.0
CB A:ALA8 4.0 9.7 1.0
CE2 A:TYR133 4.1 16.1 1.0
CG2 A:ILE203 4.2 7.6 1.0
C A:GLY43 4.3 10.5 1.0
OG1 A:THR44 4.4 15.6 1.0
OH A:TYR133 4.4 23.8 1.0
CE A:LYS161 4.4 10.0 1.0
CB A:THR44 4.4 12.8 1.0
O A:HOH415 4.5 13.2 1.0
CB A:VAL40 4.6 8.5 1.0
CZ A:TYR133 4.6 18.1 1.0
CD A:LYS161 4.6 9.0 1.0
CA A:THR44 4.7 10.4 1.0
N A:THR45 4.8 8.4 1.0
CD2 A:TYR133 4.9 14.5 1.0
CG A:LEU101 4.9 8.6 1.0
CA A:ALA8 4.9 7.5 1.0
N A:GLY43 4.9 11.4 1.0
CG2 A:VAL40 4.9 9.8 1.0

Chlorine binding site 2 out of 2 in 3rk8

Go back to Chlorine Binding Sites List in 3rk8
Chlorine binding site 2 out of 2 in the Crystal Structure of the Chloride Inhibited Dihydrodipicolinate Synthase From Acinetobacter Baumannii Complexed with Pyruvate at 1.8 A Resolution


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 the Chloride Inhibited Dihydrodipicolinate Synthase From Acinetobacter Baumannii Complexed with Pyruvate at 1.8 A Resolution within 5.0Å range:
probe atom residue distance (Å) B Occ
B:Cl298

b:24.0
occ:1.00
 O B:HOH599 2.9 40.4 1.0
O B:HOH401 2.9 13.0 1.0
O B:HOH427 3.0 16.3 1.0
NZ B:LYS161 3.1 12.4 1.0
CD2 B:LEU101 3.4 14.8 1.0
N B:THR44 3.9 12.1 1.0
CG1 B:VAL40 3.9 7.7 1.0
CB B:ALA8 4.0 10.8 1.0
CA B:GLY43 4.0 12.0 1.0
CG2 B:ILE203 4.2 7.6 1.0
CE2 B:TYR133 4.3 18.6 1.0
C B:GLY43 4.4 11.9 1.0
CE B:LYS161 4.5 11.2 1.0
O B:HOH428 4.5 15.5 1.0
CB B:VAL40 4.5 8.7 1.0
OG1 B:THR44 4.6 20.7 1.0
OH B:TYR133 4.7 25.4 1.0
CB B:THR44 4.7 14.9 1.0
CD B:LYS161 4.7 11.3 1.0
CA B:ALA8 4.8 10.4 1.0
CZ B:TYR133 4.8 17.8 1.0
CG2 B:VAL40 4.8 9.9 1.0
N B:THR45 4.9 9.0 1.0
CD2 B:TYR133 4.9 17.0 1.0
CG B:LEU101 4.9 10.3 1.0
CA B:THR44 4.9 11.9 1.0

Reference:

S.Kaushik, A.Singh, M.Sinha, P.Kaur, S.Sharma, T.P.Singh. Crystal Structure of the Chloride Inhibited Dihydrodipicolinate Synthase From Acinetobacter Baumannii Complexed with Pyruvate at 1.8 A Resolution To Be Published.
Page generated: Fri Jul 11 09:52:46 2025

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