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Iron in PDB 4jqn: Crystal Structure of Cytochrome C Peroxidase W191G-Gateless in Complex with 4-Hydroxybenzaldehyde

Enzymatic activity of Crystal Structure of Cytochrome C Peroxidase W191G-Gateless in Complex with 4-Hydroxybenzaldehyde

All present enzymatic activity of Crystal Structure of Cytochrome C Peroxidase W191G-Gateless in Complex with 4-Hydroxybenzaldehyde:
1.11.1.5;

Protein crystallography data

The structure of Crystal Structure of Cytochrome C Peroxidase W191G-Gateless in Complex with 4-Hydroxybenzaldehyde, PDB code: 4jqn 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) 30.15 / 1.36
Space group P 21 21 21
Cell size a, b, c (Å), α, β, γ (°) 50.968, 74.786, 106.524, 90.00, 90.00, 90.00
R / Rfree (%) 11.4 / 13.9

Iron Binding Sites:

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

Iron binding site 1 out of 1 in 4jqn

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


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

b:12.4
occ:1.00
 FE A:HEM301 0.0 12.4 1.0
NA A:HEM301 2.0 12.7 1.0
NB A:HEM301 2.0 13.0 1.0
NC A:HEM301 2.0 12.2 1.0
ND A:HEM301 2.0 12.5 1.0
NE2 A:HIS175 2.0 13.6 0.5
NE2 A:HIS175 2.1 13.2 0.5
O A:HOH568 2.2 24.2 1.0
CE1 A:HIS175 3.0 14.4 0.5
CE1 A:HIS175 3.0 14.2 0.5
C1A A:HEM301 3.0 12.2 1.0
C4A A:HEM301 3.0 13.0 1.0
C1B A:HEM301 3.0 12.8 1.0
CD2 A:HIS175 3.0 12.8 0.5
C4D A:HEM301 3.0 11.4 1.0
C1C A:HEM301 3.0 11.1 1.0
C4C A:HEM301 3.0 11.8 1.0
C1D A:HEM301 3.0 11.8 1.0
C4B A:HEM301 3.1 11.9 1.0
CD2 A:HIS175 3.1 12.8 0.5
CHA A:HEM301 3.4 11.8 1.0
CHB A:HEM301 3.4 12.4 1.0
CHD A:HEM301 3.4 11.5 1.0
CHC A:HEM301 3.4 11.3 1.0
O A:HOH644 3.8 33.2 0.5
NE1 A:TRP51 4.0 16.1 1.0
NE A:ARG48 4.0 12.9 0.5
ND1 A:HIS175 4.1 13.7 0.5
ND1 A:HIS175 4.2 13.5 0.5
CG A:HIS175 4.2 12.6 0.5
O A:HOH418 4.2 19.7 1.0
CG A:HIS175 4.2 12.2 0.5
C3B A:HEM301 4.2 12.1 1.0
C2A A:HEM301 4.3 13.5 1.0
C3D A:HEM301 4.3 11.8 1.0
C2B A:HEM301 4.3 12.1 1.0
C2C A:HEM301 4.3 11.0 1.0
C2D A:HEM301 4.3 12.2 1.0
C3A A:HEM301 4.3 13.3 1.0
C3C A:HEM301 4.3 11.4 1.0
CD1 A:TRP51 4.5 13.8 1.0
NH1 A:ARG48 4.6 11.2 0.5
CG A:ARG48 4.8 13.2 0.5
CZ A:ARG48 4.8 13.6 0.5
CD A:ARG48 4.8 11.3 0.5
C5 A:HBA302 4.9 15.2 0.7

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: Mon Aug 5 04:49:40 2024

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