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Iron in PDB 4jma: Crystal Structure of Cytochrome C Peroxidase W191G-Gateless in Complex with 3-Fluorocatechol

Enzymatic activity of Crystal Structure of Cytochrome C Peroxidase W191G-Gateless in Complex with 3-Fluorocatechol

All present enzymatic activity of Crystal Structure of Cytochrome C Peroxidase W191G-Gateless in Complex with 3-Fluorocatechol:
1.11.1.5;

Protein crystallography data

The structure of Crystal Structure of Cytochrome C Peroxidase W191G-Gateless in Complex with 3-Fluorocatechol, PDB code: 4jma was solved by S.E.Boyce, M.Fischer, I.Fish, with X-Ray Crystallography technique. A brief refinement statistics is given in the table below:

Resolution Low / High (Å) 32.04 / 1.60
Space group P 21 21 21
Cell size a, b, c (Å), α, β, γ (°) 51.073, 74.649, 106.424, 90.00, 90.00, 90.00
R / Rfree (%) 14.1 / 16.2

Other elements in 4jma:

The structure of Crystal Structure of Cytochrome C Peroxidase W191G-Gateless in Complex with 3-Fluorocatechol also contains other interesting chemical elements:

Fluorine (F) 3 atoms

Iron Binding Sites:

The binding sites of Iron atom in the Crystal Structure of Cytochrome C Peroxidase W191G-Gateless in Complex with 3-Fluorocatechol (pdb code 4jma). 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 3-Fluorocatechol, PDB code: 4jma:

Iron binding site 1 out of 1 in 4jma

Go back to Iron Binding Sites List in 4jma
Iron binding site 1 out of 1 in the Crystal Structure of Cytochrome C Peroxidase W191G-Gateless in Complex with 3-Fluorocatechol


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 3-Fluorocatechol within 5.0Å range:
probe atom residue distance (Å) B Occ
A:Fe301

b:12.0
occ:1.00
 FE A:HEM301 0.0 12.0 1.0
O A:HOH548 2.0 22.2 1.0
NB A:HEM301 2.0 13.1 1.0
NC A:HEM301 2.0 10.1 1.0
NA A:HEM301 2.0 11.7 1.0
ND A:HEM301 2.0 12.8 1.0
NE2 A:HIS175 2.1 12.4 1.0
C1D A:HEM301 3.0 10.8 1.0
CE1 A:HIS175 3.0 12.0 1.0
C1C A:HEM301 3.0 10.5 1.0
C1A A:HEM301 3.0 13.2 1.0
C4C A:HEM301 3.0 11.7 1.0
C4B A:HEM301 3.1 12.3 1.0
C4A A:HEM301 3.1 12.0 1.0
C4D A:HEM301 3.1 12.1 1.0
C1B A:HEM301 3.1 12.2 1.0
CD2 A:HIS175 3.1 11.1 1.0
CHA A:HEM301 3.4 12.1 1.0
CHD A:HEM301 3.4 12.3 1.0
CHC A:HEM301 3.4 10.0 1.0
CHB A:HEM301 3.4 11.8 1.0
NE1 A:TRP51 4.0 14.2 1.0
NE A:ARG48 4.1 19.0 1.0
ND1 A:HIS175 4.2 10.3 1.0
CG A:HIS175 4.2 11.4 1.0
C2C A:HEM301 4.2 10.2 1.0
C3A A:HEM301 4.2 11.6 1.0
C3B A:HEM301 4.2 11.8 1.0
O A:HOH417 4.2 17.3 1.0
C2D A:HEM301 4.3 10.8 1.0
C2A A:HEM301 4.3 13.3 1.0
C3C A:HEM301 4.3 10.5 1.0
C3D A:HEM301 4.3 12.0 1.0
C2B A:HEM301 4.3 12.4 1.0
NH1 A:ARG48 4.5 17.0 1.0
CD1 A:TRP51 4.6 12.3 1.0
CZ A:ARG48 4.8 20.0 1.0
CG A:ARG48 4.9 13.7 1.0
CD A:ARG48 4.9 16.1 1.0
C6 A:3FA302 4.9 16.6 1.0

Reference:

G.J.Rocklin, S.E.Boyce, M.Fischer, I.Fish, D.L.Mobley, B.K.Shoichet, K.A.Dill. Blind Prediction of Charged Ligand Binding Affinities in A Model Binding Site. J.Mol.Biol. V. 425 4569 2013.
ISSN: ISSN 0022-2836
PubMed: 23896298
DOI: 10.1016/J.JMB.2013.07.030
Page generated: Sun Dec 13 15:38:29 2020

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