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Iron in PDB 4jmz: Crystal Structure of Cytochrome C Peroxidase W191G-Gateless in Complex with N-Methyl-1H-Benzimidazol-2-Amine

Enzymatic activity of Crystal Structure of Cytochrome C Peroxidase W191G-Gateless in Complex with N-Methyl-1H-Benzimidazol-2-Amine

All present enzymatic activity of Crystal Structure of Cytochrome C Peroxidase W191G-Gateless in Complex with N-Methyl-1H-Benzimidazol-2-Amine:
1.11.1.5;

Protein crystallography data

The structure of Crystal Structure of Cytochrome C Peroxidase W191G-Gateless in Complex with N-Methyl-1H-Benzimidazol-2-Amine, PDB code: 4jmz was solved by S.Barelier, M.Fischer, with X-Ray Crystallography technique. A brief refinement statistics is given in the table below:

Resolution Low / High (Å) 28.97 / 1.82
Space group P 21 21 21
Cell size a, b, c (Å), α, β, γ (°) 105.150, 74.570, 51.180, 90.00, 90.00, 90.00
R / Rfree (%) 14.5 / 18.2

Iron Binding Sites:

The binding sites of Iron atom in the Crystal Structure of Cytochrome C Peroxidase W191G-Gateless in Complex with N-Methyl-1H-Benzimidazol-2-Amine (pdb code 4jmz). This binding sites where shown within 5.0 Angstroms radius around Iron atom.
In total only one binding site of Iron was determined in the Crystal Structure of Cytochrome C Peroxidase W191G-Gateless in Complex with N-Methyl-1H-Benzimidazol-2-Amine, PDB code: 4jmz:

Iron binding site 1 out of 1 in 4jmz

Go back to Iron Binding Sites List in 4jmz
Iron binding site 1 out of 1 in the Crystal Structure of Cytochrome C Peroxidase W191G-Gateless in Complex with N-Methyl-1H-Benzimidazol-2-Amine


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 Cytochrome C Peroxidase W191G-Gateless in Complex with N-Methyl-1H-Benzimidazol-2-Amine within 5.0Å range:
probe atom residue distance (Å) B Occ
A:Fe301

b:13.6
occ:1.00
 FE A:HEM301 0.0 13.6 1.0
NC A:HEM301 2.0 12.0 1.0
NA A:HEM301 2.0 12.8 1.0
NB A:HEM301 2.0 13.4 1.0
ND A:HEM301 2.1 13.2 1.0
NE2 A:HIS175 2.1 13.5 1.0
O A:HOH707 2.2 17.0 1.0
C4B A:HEM301 3.0 13.2 1.0
C1C A:HEM301 3.0 11.8 1.0
CD2 A:HIS175 3.1 13.4 1.0
C4A A:HEM301 3.1 13.4 1.0
C1D A:HEM301 3.1 12.5 1.0
C4D A:HEM301 3.1 13.0 1.0
CE1 A:HIS175 3.1 13.1 1.0
C1B A:HEM301 3.1 13.3 1.0
C1A A:HEM301 3.1 13.5 1.0
C4C A:HEM301 3.1 11.8 1.0
CHC A:HEM301 3.4 11.8 1.0
CHA A:HEM301 3.5 13.4 1.0
CHD A:HEM301 3.5 12.4 1.0
CHB A:HEM301 3.5 13.3 1.0
NE1 A:TRP51 4.0 14.2 1.0
NE A:ARG48 4.1 18.1 1.0
O A:HOH503 4.2 17.8 1.0
ND1 A:HIS175 4.2 13.9 1.0
CG A:HIS175 4.3 13.3 1.0
C3B A:HEM301 4.3 13.7 1.0
C2C A:HEM301 4.3 12.0 1.0
C3C A:HEM301 4.4 12.4 1.0
C3D A:HEM301 4.4 13.5 1.0
C2B A:HEM301 4.4 13.8 1.0
C3A A:HEM301 4.4 14.0 1.0
C2A A:HEM301 4.4 13.5 1.0
C2D A:HEM301 4.4 12.4 1.0
NH1 A:ARG48 4.5 19.1 1.0
CD1 A:TRP51 4.6 14.1 1.0
C08 A:1M2302 4.7 23.6 1.0
CZ A:ARG48 4.8 19.4 1.0
CG A:ARG48 4.9 15.2 1.0
CD A:ARG48 4.9 16.5 1.0

Reference:

S.Barelier, S.E.Boyce, I.Fish, M.Fischer, D.B.Goodin, B.K.Shoichet. Roles For Ordered and Bulk Solvent in Ligand Recognition and Docking in Two Related Cavities. Plos One V. 8 69153 2013.
ISSN: ESSN 1932-6203
PubMed: 23874896
DOI: 10.1371/JOURNAL.PONE.0069153
Page generated: Mon Aug 5 04:45:18 2024

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