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Chlorine in PDB 6bvs: Crystal Structure of 3-Hydroxyanthranilate-3,4-Dioxygenase I142A From Cupriavidus Metallidurans in Complex with 4-Cl-3-Haa

Enzymatic activity of Crystal Structure of 3-Hydroxyanthranilate-3,4-Dioxygenase I142A From Cupriavidus Metallidurans in Complex with 4-Cl-3-Haa

All present enzymatic activity of Crystal Structure of 3-Hydroxyanthranilate-3,4-Dioxygenase I142A From Cupriavidus Metallidurans in Complex with 4-Cl-3-Haa:
1.13.11.6;

Protein crystallography data

The structure of Crystal Structure of 3-Hydroxyanthranilate-3,4-Dioxygenase I142A From Cupriavidus Metallidurans in Complex with 4-Cl-3-Haa, PDB code: 6bvs was solved by Y.Yang, F.Liu, A.Liu, with X-Ray Crystallography technique. A brief refinement statistics is given in the table below:

Resolution Low / High (Å) 42.20 / 2.32
Space group P 65 2 2
Cell size a, b, c (Å), α, β, γ (°) 58.306, 58.306, 230.483, 90.00, 90.00, 120.00
R / Rfree (%) 20.5 / 25.5

Other elements in 6bvs:

The structure of Crystal Structure of 3-Hydroxyanthranilate-3,4-Dioxygenase I142A From Cupriavidus Metallidurans in Complex with 4-Cl-3-Haa also contains other interesting chemical elements:

Iron (Fe) 2 atoms

Chlorine Binding Sites:

The binding sites of Chlorine atom in the Crystal Structure of 3-Hydroxyanthranilate-3,4-Dioxygenase I142A From Cupriavidus Metallidurans in Complex with 4-Cl-3-Haa (pdb code 6bvs). This binding sites where shown within 5.0 Angstroms radius around Chlorine atom.
In total only one binding site of Chlorine was determined in the Crystal Structure of 3-Hydroxyanthranilate-3,4-Dioxygenase I142A From Cupriavidus Metallidurans in Complex with 4-Cl-3-Haa, PDB code: 6bvs:

Chlorine binding site 1 out of 1 in 6bvs

Go back to Chlorine Binding Sites List in 6bvs
Chlorine binding site 1 out of 1 in the Crystal Structure of 3-Hydroxyanthranilate-3,4-Dioxygenase I142A From Cupriavidus Metallidurans in Complex with 4-Cl-3-Haa


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 3-Hydroxyanthranilate-3,4-Dioxygenase I142A From Cupriavidus Metallidurans in Complex with 4-Cl-3-Haa within 5.0Å range:
probe atom residue distance (Å) B Occ
A:Cl401

b:91.3
occ:1.00
 CLAE A:4AA401 0.0 91.3 1.0
CAJ A:4AA401 1.8 70.9 1.0
CAK A:4AA401 2.8 64.9 1.0
CAF A:4AA401 2.8 68.2 1.0
OAD A:4AA401 3.0 62.3 1.0
OE2 A:GLU110 3.4 59.5 1.0
O A:HOH562 4.0 62.0 1.0
CD A:GLU110 4.0 49.6 1.0
CAI A:4AA401 4.1 59.4 1.0
CAG A:4AA401 4.1 64.0 1.0
OE1 A:GLU110 4.1 52.1 1.0
O A:HOH544 4.2 36.9 1.0
CB A:ALA142 4.3 54.7 1.0
CAL A:4AA401 4.6 59.7 1.0
OG1 A:THR39 4.7 38.2 1.0

Reference:

Y.Yang, F.Liu, A.Liu. Adapting to Oxygen: 3-Hydroxyanthrinilate 3,4-Dioxygenase Employs Loop Dynamics to Accommodate Two Substrates with Disparate Polarities. J. Biol. Chem. V. 293 10415 2018.
ISSN: ESSN 1083-351X
PubMed: 29784877
DOI: 10.1074/JBC.RA118.002698
Page generated: Fri Jul 26 23:09:02 2024

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