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Iron in PDB 4jn0: Crystal Structure of Cytochrome C Peroxidase W191G-Gateless in Complex with 1H-Pyrrolo[3,2-B]Pyridine-6-Carbaldehyde

Enzymatic activity of Crystal Structure of Cytochrome C Peroxidase W191G-Gateless in Complex with 1H-Pyrrolo[3,2-B]Pyridine-6-Carbaldehyde

All present enzymatic activity of Crystal Structure of Cytochrome C Peroxidase W191G-Gateless in Complex with 1H-Pyrrolo[3,2-B]Pyridine-6-Carbaldehyde:
1.11.1.5;

Protein crystallography data

The structure of Crystal Structure of Cytochrome C Peroxidase W191G-Gateless in Complex with 1H-Pyrrolo[3,2-B]Pyridine-6-Carbaldehyde, PDB code: 4jn0 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) 29.04 / 1.86
Space group P 21 21 21
Cell size a, b, c (Å), α, β, γ (°) 106.070, 74.560, 50.900, 90.00, 90.00, 90.00
R / Rfree (%) 15 / 19.4

Iron Binding Sites:

The binding sites of Iron atom in the Crystal Structure of Cytochrome C Peroxidase W191G-Gateless in Complex with 1H-Pyrrolo[3,2-B]Pyridine-6-Carbaldehyde (pdb code 4jn0). 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 1H-Pyrrolo[3,2-B]Pyridine-6-Carbaldehyde, PDB code: 4jn0:

Iron binding site 1 out of 1 in 4jn0

Go back to Iron Binding Sites List in 4jn0
Iron binding site 1 out of 1 in the Crystal Structure of Cytochrome C Peroxidase W191G-Gateless in Complex with 1H-Pyrrolo[3,2-B]Pyridine-6-Carbaldehyde


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 1H-Pyrrolo[3,2-B]Pyridine-6-Carbaldehyde within 5.0Å range:
probe atom residue distance (Å) B Occ
A:Fe301

b:11.9
occ:1.00
 FE A:HEM301 0.0 11.9 1.0
NC A:HEM301 2.0 11.1 1.0
NB A:HEM301 2.0 11.3 1.0
NA A:HEM301 2.0 12.4 1.0
NE2 A:HIS175 2.1 11.2 1.0
ND A:HEM301 2.1 11.5 1.0
O A:HOH573 2.1 20.1 1.0
CE1 A:HIS175 3.0 12.2 1.0
C4B A:HEM301 3.0 10.2 1.0
C1C A:HEM301 3.1 10.3 1.0
C4A A:HEM301 3.1 13.6 1.0
C4C A:HEM301 3.1 11.0 1.0
C1B A:HEM301 3.1 14.0 1.0
CD2 A:HIS175 3.1 10.9 1.0
C1A A:HEM301 3.1 14.2 1.0
C1D A:HEM301 3.1 11.9 1.0
C4D A:HEM301 3.1 12.0 1.0
CHC A:HEM301 3.4 10.7 1.0
CHB A:HEM301 3.4 11.0 1.0
CHD A:HEM301 3.4 9.5 1.0
CHA A:HEM301 3.5 9.9 1.0
NE1 A:TRP51 4.0 11.7 1.0
NE A:ARG48 4.0 20.5 1.0
O A:HOH659 4.1 16.1 1.0
ND1 A:HIS175 4.1 12.9 1.0
H2 A:1MJ302 4.2 22.8 1.0
CG A:HIS175 4.2 11.3 1.0
C3B A:HEM301 4.3 8.8 1.0
C2B A:HEM301 4.3 12.5 1.0
C3A A:HEM301 4.3 13.2 1.0
C2A A:HEM301 4.3 13.1 1.0
C3C A:HEM301 4.3 12.7 1.0
C2C A:HEM301 4.3 9.8 1.0
C2D A:HEM301 4.3 10.9 1.0
C3D A:HEM301 4.3 11.7 1.0
CD1 A:TRP51 4.4 10.6 1.0
NH1 A:ARG48 4.5 14.3 1.0
CZ A:ARG48 4.8 18.9 1.0
C02 A:1MJ302 4.9 19.0 1.0
CG A:ARG48 4.9 11.5 1.0
CD A:ARG48 4.9 15.1 1.0
H1 A:1MJ302 5.0 25.0 1.0

Reference:

S.Barelier, S.E.Boyce, I.Fish, M.Fischer, D.B.Goodin, B.K.Shoichet. Docking to A Water-Filled Model Binding Site in Cytochrome C Peroxidase To Be Published.
Page generated: Mon Aug 5 04:45:29 2024

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