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Iron in PDB 6bvq: Crystal Structure of 3-Hydroxyanthranilate-3,4-Dioxygenase N27A From Cupriavidus Metallidurans in Complex with 4-Cl-3-Haa

Enzymatic activity of Crystal Structure of 3-Hydroxyanthranilate-3,4-Dioxygenase N27A From Cupriavidus Metallidurans in Complex with 4-Cl-3-Haa

All present enzymatic activity of Crystal Structure of 3-Hydroxyanthranilate-3,4-Dioxygenase N27A 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 N27A From Cupriavidus Metallidurans in Complex with 4-Cl-3-Haa, PDB code: 6bvq 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) 31.12 / 2.08
Space group P 65 2 2
Cell size a, b, c (Å), α, β, γ (°) 58.608, 58.608, 236.316, 90.00, 90.00, 120.00
R / Rfree (%) 22.8 / 26.7

Other elements in 6bvq:

The structure of Crystal Structure of 3-Hydroxyanthranilate-3,4-Dioxygenase N27A From Cupriavidus Metallidurans in Complex with 4-Cl-3-Haa also contains other interesting chemical elements:

Chlorine (Cl) 1 atom

Iron Binding Sites:

The binding sites of Iron atom in the Crystal Structure of 3-Hydroxyanthranilate-3,4-Dioxygenase N27A From Cupriavidus Metallidurans in Complex with 4-Cl-3-Haa (pdb code 6bvq). This binding sites where shown within 5.0 Angstroms radius around Iron atom.
In total 2 binding sites of Iron where determined in the Crystal Structure of 3-Hydroxyanthranilate-3,4-Dioxygenase N27A From Cupriavidus Metallidurans in Complex with 4-Cl-3-Haa, PDB code: 6bvq:
Jump to Iron binding site number: 1; 2;

Iron binding site 1 out of 2 in 6bvq

Go back to Iron Binding Sites List in 6bvq
Iron binding site 1 out of 2 in the Crystal Structure of 3-Hydroxyanthranilate-3,4-Dioxygenase N27A From Cupriavidus Metallidurans in Complex with 4-Cl-3-Haa


Mono view


Stereo pair view

A full contact list of Iron with other atoms in the Fe binding site number 1 of Crystal Structure of 3-Hydroxyanthranilate-3,4-Dioxygenase N27A From Cupriavidus Metallidurans in Complex with 4-Cl-3-Haa within 5.0Å range:
probe atom residue distance (Å) B Occ
A:Fe201

b:75.9
occ:1.00
ND1 A:HIS51 2.4 34.7 1.0
OE1 A:GLU57 2.6 38.7 1.0
OE2 A:GLU57 2.7 36.1 1.0
OAD A:4AA203 2.7 57.9 0.8
NE2 A:HIS95 2.8 32.8 1.0
CD A:GLU57 3.0 38.9 1.0
CE1 A:HIS51 3.1 35.0 1.0
NAA A:4AA203 3.5 41.4 0.8
CG A:HIS51 3.6 37.3 1.0
CAK A:4AA203 3.6 57.9 0.8
OE1 A:GLU110 3.6 54.8 1.0
CD2 A:HIS95 3.7 31.4 1.0
CE1 A:HIS95 3.7 32.7 1.0
CAI A:4AA203 3.9 48.7 0.8
CB A:HIS51 4.1 34.8 1.0
NE2 A:HIS51 4.3 37.0 1.0
CD A:GLU110 4.4 48.2 1.0
CG A:GLU57 4.5 37.3 1.0
O A:HOH381 4.5 64.3 1.0
CD2 A:HIS51 4.6 34.3 1.0
CAJ A:4AA203 4.6 64.4 0.8
OE2 A:GLU110 4.7 43.1 1.0
OD2 A:ASP53 4.8 38.0 1.0
CG A:HIS95 4.8 34.0 1.0
ND1 A:HIS95 4.8 34.1 1.0

Iron binding site 2 out of 2 in 6bvq

Go back to Iron Binding Sites List in 6bvq
Iron binding site 2 out of 2 in the Crystal Structure of 3-Hydroxyanthranilate-3,4-Dioxygenase N27A From Cupriavidus Metallidurans in Complex with 4-Cl-3-Haa


Mono view


Stereo pair view

A full contact list of Iron with other atoms in the Fe binding site number 2 of Crystal Structure of 3-Hydroxyanthranilate-3,4-Dioxygenase N27A From Cupriavidus Metallidurans in Complex with 4-Cl-3-Haa within 5.0Å range:
probe atom residue distance (Å) B Occ
A:Fe202

b:41.0
occ:1.00
SG A:CYS162 2.4 46.0 1.0
SG A:CYS128 2.5 58.3 1.0
SG A:CYS125 2.6 45.0 1.0
SG A:CYS165 2.6 47.3 1.0
CB A:CYS125 3.2 41.3 1.0
CB A:CYS162 3.3 42.2 1.0
CB A:CYS165 3.3 51.6 1.0
CB A:CYS128 3.4 58.4 1.0
N A:CYS165 3.8 50.1 1.0
N A:CYS128 4.0 50.6 1.0
CA A:CYS165 4.1 52.2 1.0
CA A:CYS128 4.2 54.5 1.0
CB A:HIS164 4.6 49.2 1.0
CB A:HIS130 4.6 48.3 1.0
CA A:CYS125 4.7 42.4 1.0
CA A:CYS162 4.7 42.0 1.0
C A:HIS164 4.7 51.0 1.0
C A:CYS128 4.8 54.6 1.0
ND1 A:HIS164 4.8 56.3 1.0
C A:CYS165 4.8 49.8 1.0
CB A:GLN167 4.9 49.2 1.0
CB A:ALA127 4.9 49.7 1.0
C A:ALA127 4.9 51.0 1.0
N A:HIS130 4.9 48.2 1.0
N A:GLY129 4.9 52.3 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: Sun Dec 13 16:21:46 2020

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