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Iron in PDB 1ued: Crystal Structure of Oxyc A Cytochrome P450 Implicated in An Oxidative C-C Coupling Reaction During Vancomycin Biosynthesis.

Protein crystallography data

The structure of Crystal Structure of Oxyc A Cytochrome P450 Implicated in An Oxidative C-C Coupling Reaction During Vancomycin Biosynthesis., PDB code: 1ued was solved by O.Pylypenko, F.Vitali, K.Zerbe, J.A.Robinson, I.Schlichting, with X-Ray Crystallography technique. A brief refinement statistics is given in the table below:

Resolution Low / High (Å) 20.00 / 1.90
Space group P 1 21 1
Cell size a, b, c (Å), α, β, γ (°) 41.063, 99.270, 105.081, 90.00, 96.11, 90.00
R / Rfree (%) 19.6 / 23.5

Iron Binding Sites:

The binding sites of Iron atom in the Crystal Structure of Oxyc A Cytochrome P450 Implicated in An Oxidative C-C Coupling Reaction During Vancomycin Biosynthesis. (pdb code 1ued). 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 Oxyc A Cytochrome P450 Implicated in An Oxidative C-C Coupling Reaction During Vancomycin Biosynthesis., PDB code: 1ued:
Jump to Iron binding site number: 1; 2;

Iron binding site 1 out of 2 in 1ued

Go back to Iron Binding Sites List in 1ued
Iron binding site 1 out of 2 in the Crystal Structure of Oxyc A Cytochrome P450 Implicated in An Oxidative C-C Coupling Reaction During Vancomycin Biosynthesis.


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 Oxyc A Cytochrome P450 Implicated in An Oxidative C-C Coupling Reaction During Vancomycin Biosynthesis. within 5.0Å range:
probe atom residue distance (Å) B Occ
A:Fe1430

b:14.4
occ:1.00
FE A:HEM1430 0.0 14.4 1.0
NB A:HEM1430 2.0 10.9 1.0
NC A:HEM1430 2.0 14.3 1.0
ND A:HEM1430 2.0 14.3 1.0
NA A:HEM1430 2.0 13.1 1.0
SG A:CYS356 2.4 15.1 1.0
O A:HOH4518 2.5 23.8 1.0
C4A A:HEM1430 3.0 10.8 1.0
C1B A:HEM1430 3.0 11.5 1.0
C4C A:HEM1430 3.0 14.3 1.0
C4B A:HEM1430 3.1 10.4 1.0
C1C A:HEM1430 3.1 13.6 1.0
C1D A:HEM1430 3.1 11.9 1.0
C1A A:HEM1430 3.1 12.2 1.0
C4D A:HEM1430 3.1 13.0 1.0
CHB A:HEM1430 3.3 9.7 1.0
CB A:CYS356 3.4 10.1 1.0
CHD A:HEM1430 3.4 14.1 1.0
CHA A:HEM1430 3.5 14.0 1.0
CHC A:HEM1430 3.5 11.5 1.0
O A:GLY245 3.9 16.0 1.0
CA A:CYS356 4.0 12.8 1.0
C3B A:HEM1430 4.2 10.9 1.0
C2B A:HEM1430 4.3 9.5 1.0
C3A A:HEM1430 4.3 13.6 1.0
C2D A:HEM1430 4.3 11.7 1.0
C2C A:HEM1430 4.3 13.4 1.0
C3C A:HEM1430 4.3 15.3 1.0
C2A A:HEM1430 4.3 11.9 1.0
C3D A:HEM1430 4.3 12.7 1.0
C1 A:PG44502 4.7 41.8 1.0
C A:GLY245 4.7 17.9 1.0
C A:CYS356 4.8 13.4 1.0
N A:GLY358 4.8 13.7 1.0
N A:VAL357 4.9 13.7 1.0

Iron binding site 2 out of 2 in 1ued

Go back to Iron Binding Sites List in 1ued
Iron binding site 2 out of 2 in the Crystal Structure of Oxyc A Cytochrome P450 Implicated in An Oxidative C-C Coupling Reaction During Vancomycin Biosynthesis.


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 Oxyc A Cytochrome P450 Implicated in An Oxidative C-C Coupling Reaction During Vancomycin Biosynthesis. within 5.0Å range:
probe atom residue distance (Å) B Occ
B:Fe2430

b:17.7
occ:1.00
FE B:HEM2430 0.0 17.7 1.0
NB B:HEM2430 2.0 15.8 1.0
ND B:HEM2430 2.0 14.1 1.0
NA B:HEM2430 2.1 14.9 1.0
NC B:HEM2430 2.1 14.8 1.0
SG B:CYS356 2.4 18.0 1.0
O B:HOH5680 2.5 29.2 1.0
C4B B:HEM2430 3.0 16.5 1.0
C4D B:HEM2430 3.1 12.6 1.0
C1B B:HEM2430 3.1 16.5 1.0
C1D B:HEM2430 3.1 15.8 1.0
C4A B:HEM2430 3.1 16.4 1.0
C1C B:HEM2430 3.1 16.5 1.0
C1A B:HEM2430 3.1 15.4 1.0
C4C B:HEM2430 3.1 16.8 1.0
CB B:CYS356 3.4 15.3 1.0
CHB B:HEM2430 3.4 15.1 1.0
CHC B:HEM2430 3.4 13.7 1.0
CHA B:HEM2430 3.5 15.0 1.0
CHD B:HEM2430 3.5 15.2 1.0
O B:GLY245 4.0 20.0 1.0
CA B:CYS356 4.1 15.1 1.0
C3B B:HEM2430 4.2 15.8 1.0
C3D B:HEM2430 4.3 13.8 1.0
C2B B:HEM2430 4.3 17.0 1.0
C2D B:HEM2430 4.3 15.4 1.0
C2A B:HEM2430 4.4 15.2 1.0
C3A B:HEM2430 4.4 14.8 1.0
C3C B:HEM2430 4.4 13.8 1.0
C2C B:HEM2430 4.4 13.2 1.0
C B:GLY245 4.7 19.4 1.0
C B:CYS356 4.8 16.8 1.0
N B:GLY358 4.9 18.3 1.0
O1 B:PG45502 4.9 56.3 1.0
N B:VAL357 4.9 18.3 1.0

Reference:

O.Pylypenko, F.Vitali, K.Zerbe, J.A.Robinson, I.Schlichting. Crystal Structure of Oxyc, A Cytochrome P450 Implicated in An Oxidative C-C Coupling Reaction During Vancomycin Biosynthesis J.Biol.Chem. V. 278 46727 2003.
ISSN: ISSN 0021-9258
PubMed: 12888556
DOI: 10.1074/JBC.M306486200
Page generated: Sun Dec 13 14:33:28 2020

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