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Iron in PDB 6d61: Crystal Structure of 3-Hydroxyanthranilate-3,4-Dioxygenase I142P From Cupriavidus Metallidurans in Complex with 4-Cl-3-Haa

Enzymatic activity of Crystal Structure of 3-Hydroxyanthranilate-3,4-Dioxygenase I142P From Cupriavidus Metallidurans in Complex with 4-Cl-3-Haa

All present enzymatic activity of Crystal Structure of 3-Hydroxyanthranilate-3,4-Dioxygenase I142P 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 I142P From Cupriavidus Metallidurans in Complex with 4-Cl-3-Haa, PDB code: 6d61 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) 29.35 / 1.74
Space group P 65 2 2
Cell size a, b, c (Å), α, β, γ (°) 58.701, 58.701, 231.896, 90.00, 90.00, 120.00
R / Rfree (%) 19.9 / 23.7

Other elements in 6d61:

The structure of Crystal Structure of 3-Hydroxyanthranilate-3,4-Dioxygenase I142P 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 I142P From Cupriavidus Metallidurans in Complex with 4-Cl-3-Haa (pdb code 6d61). 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 I142P From Cupriavidus Metallidurans in Complex with 4-Cl-3-Haa, PDB code: 6d61:
Jump to Iron binding site number: 1; 2;

Iron binding site 1 out of 2 in 6d61

Go back to Iron Binding Sites List in 6d61
Iron binding site 1 out of 2 in the Crystal Structure of 3-Hydroxyanthranilate-3,4-Dioxygenase I142P 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 I142P From Cupriavidus Metallidurans in Complex with 4-Cl-3-Haa within 5.0Å range:
probe atom residue distance (Å) B Occ
A:Fe201

b:40.1
occ:1.00
 O A:HOH345 2.3 24.5 1.0
OE1 A:GLU57 2.3 16.6 1.0
O A:HOH336 2.3 23.6 1.0
OE2 A:GLU57 2.3 18.5 1.0
NE2 A:HIS95 2.3 17.8 1.0
ND1 A:HIS51 2.4 22.4 1.0
CD A:GLU57 2.6 18.3 1.0
CE1 A:HIS51 3.2 23.2 1.0
CD2 A:HIS95 3.3 19.3 1.0
CE1 A:HIS95 3.3 22.6 1.0
CG A:HIS51 3.5 22.4 1.0
CB A:HIS51 3.9 18.3 1.0
O A:HOH492 3.9 28.2 1.0
NAA A:4AA203 4.0 22.9 0.8
CG A:GLU57 4.1 18.3 1.0
OAD A:4AA203 4.2 28.8 0.8
O A:HOH500 4.2 34.5 1.0
NE2 A:HIS51 4.4 21.0 1.0
ND1 A:HIS95 4.4 20.1 1.0
CG A:HIS95 4.4 18.1 1.0
CD2 A:HIS51 4.5 22.9 1.0
OD2 A:ASP53 4.6 21.3 1.0
OE2 A:GLU110 4.6 28.7 1.0
CAI A:4AA203 4.7 26.2 0.8
CB A:ASP53 4.7 21.1 1.0
CAK A:4AA203 4.8 31.2 0.8
CB A:GLU57 5.0 21.7 1.0

Iron binding site 2 out of 2 in 6d61

Go back to Iron Binding Sites List in 6d61
Iron binding site 2 out of 2 in the Crystal Structure of 3-Hydroxyanthranilate-3,4-Dioxygenase I142P 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 I142P From Cupriavidus Metallidurans in Complex with 4-Cl-3-Haa within 5.0Å range:
probe atom residue distance (Å) B Occ
A:Fe202

b:26.6
occ:1.00
 SG A:CYS162 2.5 32.0 1.0
SG A:CYS165 2.5 32.6 1.0
SG A:CYS128 2.5 38.2 1.0
SG A:CYS125 2.5 30.2 1.0
CB A:CYS125 3.1 33.1 1.0
CB A:CYS162 3.2 27.7 1.0
CB A:CYS165 3.3 39.1 1.0
CB A:CYS128 3.6 35.4 1.0
N A:CYS165 3.8 34.6 1.0
N A:CYS128 3.8 31.2 1.0
CA A:CYS165 4.1 36.9 1.0
CA A:CYS128 4.2 32.5 1.0
CB A:ALA127 4.4 32.1 1.0
CA A:CYS125 4.6 30.9 1.0
CB A:HIS164 4.6 37.2 1.0
CB A:HIS130 4.6 33.6 1.0
C A:CYS165 4.7 35.7 1.0
CA A:CYS162 4.7 26.1 1.0
CB A:GLN167 4.7 31.5 1.0
N A:GLY166 4.7 31.6 1.0
C A:CYS128 4.8 34.9 1.0
C A:ALA127 4.8 36.8 1.0
N A:GLN167 4.8 31.6 1.0
C A:HIS164 4.8 39.0 1.0
O A:HOH418 4.9 28.4 1.0
N A:HIS130 4.9 29.4 1.0
N A:GLY129 5.0 33.0 1.0
CA A:ALA127 5.0 35.7 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: Wed Aug 6 05:18:40 2025

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