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Chlorine in PDB 4lq6: Crystal Structure of RV3717 Reveals A Novel Amidase From M. Tuberculosis

Protein crystallography data

The structure of Crystal Structure of RV3717 Reveals A Novel Amidase From M. Tuberculosis, PDB code: 4lq6 was solved by A.Kumar, S.Kumar, D.Kumar, A.Mishra, R.P.Dewangan, P.Shrivastava, S.Ramachandran, B.Taneja, with X-Ray Crystallography technique. A brief refinement statistics is given in the table below:

Resolution Low / High (Å) 21.09 / 1.68
Space group I 21 21 21
Cell size a, b, c (Å), α, β, γ (°) 37.350, 103.780, 129.970, 90.00, 90.00, 90.00
R / Rfree (%) 16.1 / 18.4

Other elements in 4lq6:

The structure of Crystal Structure of RV3717 Reveals A Novel Amidase From M. Tuberculosis also contains other interesting chemical elements:

Platinum (Pt) 9 atoms
Zinc (Zn) 1 atom

Chlorine Binding Sites:

The binding sites of Chlorine atom in the Crystal Structure of RV3717 Reveals A Novel Amidase From M. Tuberculosis (pdb code 4lq6). This binding sites where shown within 5.0 Angstroms radius around Chlorine atom.
In total 4 binding sites of Chlorine where determined in the Crystal Structure of RV3717 Reveals A Novel Amidase From M. Tuberculosis, PDB code: 4lq6:
Jump to Chlorine binding site number: 1; 2; 3; 4;

Chlorine binding site 1 out of 4 in 4lq6

Go back to Chlorine Binding Sites List in 4lq6
Chlorine binding site 1 out of 4 in the Crystal Structure of RV3717 Reveals A Novel Amidase From M. Tuberculosis


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 RV3717 Reveals A Novel Amidase From M. Tuberculosis within 5.0Å range:
probe atom residue distance (Å) B Occ
A:Cl303

b:74.5
occ:1.00
NH1 A:ARG137 3.2 26.2 1.0
NH2 A:ARG137 3.8 29.9 1.0
O A:HOH493 4.0 53.1 1.0
CZ A:ARG137 4.0 39.1 1.0
O A:HOH543 4.0 47.3 1.0
CD1 A:LEU156 4.1 22.0 1.0
NE A:ARG134 4.6 40.6 1.0
O A:HOH491 4.8 51.2 1.0
CD A:ARG134 5.0 26.9 1.0

Chlorine binding site 2 out of 4 in 4lq6

Go back to Chlorine Binding Sites List in 4lq6
Chlorine binding site 2 out of 4 in the Crystal Structure of RV3717 Reveals A Novel Amidase From M. Tuberculosis


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 RV3717 Reveals A Novel Amidase From M. Tuberculosis within 5.0Å range:
probe atom residue distance (Å) B Occ
A:Cl304

b:52.4
occ:1.00
N A:ALA123 3.2 19.2 1.0
O A:HOH467 3.4 32.2 1.0
CB A:ASN122 3.8 20.2 1.0
CB A:ALA123 3.8 21.1 1.0
CA A:ASN122 3.8 17.9 1.0
C A:ASN122 4.0 21.0 1.0
CA A:ALA123 4.1 19.3 1.0
O A:HOH481 4.7 48.1 1.0
CG A:ASN122 5.0 20.2 1.0

Chlorine binding site 3 out of 4 in 4lq6

Go back to Chlorine Binding Sites List in 4lq6
Chlorine binding site 3 out of 4 in the Crystal Structure of RV3717 Reveals A Novel Amidase From M. Tuberculosis


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 RV3717 Reveals A Novel Amidase From M. Tuberculosis within 5.0Å range:
probe atom residue distance (Å) B Occ
A:Cl305

b:48.0
occ:1.00
PT A:PT309 2.3 50.5 0.2
O A:HOH420 2.4 25.6 1.0
CL A:CL306 2.7 34.5 1.0
O A:HOH458 2.7 28.7 1.0
N A:GLY164 3.0 16.4 1.0
N A:ALA163 3.5 14.5 1.0
CA A:GLY164 3.7 16.4 1.0
C A:LEU162 3.9 16.3 1.0
CB A:LEU162 3.9 13.4 1.0
C A:ALA163 4.0 17.6 1.0
CB A:VAL82 4.1 17.4 1.0
CA A:LEU162 4.1 13.2 1.0
CG1 A:VAL82 4.1 18.8 1.0
CA A:ALA163 4.1 15.0 1.0
O A:HOH453 4.2 23.7 1.0
CB A:ALA163 4.4 16.9 1.0
O A:HOH492 4.6 31.9 1.0
O A:LEU162 4.6 14.9 1.0
O A:HOH438 4.7 46.1 1.0
CG2 A:VAL82 4.7 16.8 1.0
O A:HOH487 4.7 42.0 1.0
N A:LEU165 4.7 14.1 1.0
CD1 A:LEU174 4.7 17.3 1.0
O A:HOH524 4.7 54.8 1.0
C A:GLY164 4.8 19.5 1.0
CD2 A:LEU162 4.8 20.5 1.0
CG A:LEU162 4.8 17.2 1.0
O A:HOH417 5.0 20.9 1.0

Chlorine binding site 4 out of 4 in 4lq6

Go back to Chlorine Binding Sites List in 4lq6
Chlorine binding site 4 out of 4 in the Crystal Structure of RV3717 Reveals A Novel Amidase From M. Tuberculosis


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 RV3717 Reveals A Novel Amidase From M. Tuberculosis within 5.0Å range:
probe atom residue distance (Å) B Occ
A:Cl306

b:34.5
occ:1.00
PT A:PT309 2.0 50.5 0.2
CL A:CL305 2.7 48.0 1.0
NZ A:LYS31 3.0 38.2 1.0
N A:ALA163 3.2 14.5 1.0
CE A:LYS31 3.4 39.9 1.0
O A:HOH438 3.4 46.1 1.0
CD A:LYS31 3.4 39.1 1.0
O A:HOH524 3.5 54.8 1.0
CA A:LEU162 3.9 13.2 1.0
CB A:ALA163 3.9 16.9 1.0
C A:LEU162 4.0 16.3 1.0
CA A:ALA163 4.1 15.0 1.0
CG2 A:VAL82 4.2 16.8 1.0
O A:HOH525 4.2 40.0 1.0
CD2 A:LEU162 4.3 20.5 1.0
O A:ASP161 4.3 18.2 1.0
CG1 A:VAL82 4.4 18.8 1.0
CB A:VAL82 4.4 17.4 1.0
CB A:LEU162 4.5 13.4 1.0
CG A:LYS31 4.5 30.0 1.0
O A:HOH540 4.5 52.3 1.0
N A:GLY164 4.6 16.4 1.0
O A:HOH420 4.8 25.6 1.0
C A:ALA163 4.9 17.6 1.0

Reference:

A.Kumar, S.Kumar, D.Kumar, A.Mishra, R.P.Dewangan, P.Shrivastava, S.Ramachandran, B.Taneja. The Structure of RV3717 Reveals A Novel Amidase From Mycobacterium Tuberculosis. Acta Crystallogr.,Sect.D V. 69 2543 2013.
ISSN: ISSN 0907-4449
PubMed: 24311595
DOI: 10.1107/S0907444913026371
Page generated: Wed Oct 28 11:54:37 2020

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