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Iron in PDB 8hoo: Crystal Structure of the P450 BM3 Heme Domain Mutant F87A in Complex with Im-C6-Tyr-Nap

Enzymatic activity of Crystal Structure of the P450 BM3 Heme Domain Mutant F87A in Complex with Im-C6-Tyr-Nap

All present enzymatic activity of Crystal Structure of the P450 BM3 Heme Domain Mutant F87A in Complex with Im-C6-Tyr-Nap:
1.14.14.1; 1.6.2.4;

Protein crystallography data

The structure of Crystal Structure of the P450 BM3 Heme Domain Mutant F87A in Complex with Im-C6-Tyr-Nap, PDB code: 8hoo was solved by Y.Jiang, S.Dong, Y.Feng, Z.Cong, with X-Ray Crystallography technique. A brief refinement statistics is given in the table below:

Resolution Low / High (Å) 54.24 / 1.86
Space group P 1 21 1
Cell size a, b, c (Å), α, β, γ (°) 58.913, 147.188, 64.52, 90, 97.99, 90
R / Rfree (%) 18.1 / 21

Iron Binding Sites:

The binding sites of Iron atom in the Crystal Structure of the P450 BM3 Heme Domain Mutant F87A in Complex with Im-C6-Tyr-Nap (pdb code 8hoo). 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 the P450 BM3 Heme Domain Mutant F87A in Complex with Im-C6-Tyr-Nap, PDB code: 8hoo:
Jump to Iron binding site number: 1; 2;

Iron binding site 1 out of 2 in 8hoo

Go back to Iron Binding Sites List in 8hoo
Iron binding site 1 out of 2 in the Crystal Structure of the P450 BM3 Heme Domain Mutant F87A in Complex with Im-C6-Tyr-Nap


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 the P450 BM3 Heme Domain Mutant F87A in Complex with Im-C6-Tyr-Nap within 5.0Å range:
probe atom residue distance (Å) B Occ
A:Fe501

b:21.0
occ:1.00
FE A:HEM501 0.0 21.0 1.0
NC A:HEM501 2.0 21.2 1.0
ND A:HEM501 2.1 16.7 1.0
NB A:HEM501 2.1 15.3 1.0
NA A:HEM501 2.1 18.7 1.0
O C:HOH101 2.4 26.6 1.0
SG A:CYS400 2.6 20.3 1.0
C4C A:HEM501 3.0 18.2 1.0
C1B A:HEM501 3.0 20.6 1.0
C1D A:HEM501 3.1 22.8 1.0
C1C A:HEM501 3.1 16.4 1.0
C4A A:HEM501 3.1 22.7 1.0
C4D A:HEM501 3.1 20.5 1.0
C1A A:HEM501 3.1 20.2 1.0
C4B A:HEM501 3.1 20.0 1.0
CB A:CYS400 3.3 20.7 1.0
CHD A:HEM501 3.4 24.2 1.0
CHB A:HEM501 3.4 20.2 1.0
CHC A:HEM501 3.5 16.2 1.0
CHA A:HEM501 3.5 19.3 1.0
CA A:CYS400 4.0 19.6 1.0
C3C A:HEM501 4.2 17.5 1.0
C2C A:HEM501 4.3 22.6 1.0
C2B A:HEM501 4.3 16.8 1.0
C2D A:HEM501 4.3 19.1 1.0
C3D A:HEM501 4.3 16.7 1.0
C3A A:HEM501 4.3 21.8 1.0
O A:ALA264 4.3 23.9 1.0
C2A A:HEM501 4.3 21.1 1.0
C3B A:HEM501 4.3 16.0 1.0
CB A:ALA264 4.6 24.9 1.0
N34 C:I7X1 4.7 30.5 1.0
C A:CYS400 4.8 22.4 1.0
C33 C:I7X1 4.9 29.2 1.0
N A:GLY402 4.9 22.6 1.0
C A:ALA264 4.9 24.4 1.0

Iron binding site 2 out of 2 in 8hoo

Go back to Iron Binding Sites List in 8hoo
Iron binding site 2 out of 2 in the Crystal Structure of the P450 BM3 Heme Domain Mutant F87A in Complex with Im-C6-Tyr-Nap


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 the P450 BM3 Heme Domain Mutant F87A in Complex with Im-C6-Tyr-Nap within 5.0Å range:
probe atom residue distance (Å) B Occ
B:Fe501

b:20.6
occ:1.00
FE B:HEM501 0.0 20.6 1.0
ND B:HEM501 2.0 16.4 1.0
NC B:HEM501 2.1 21.2 1.0
NA B:HEM501 2.1 21.1 1.0
NB B:HEM501 2.1 17.6 1.0
O D:HOH101 2.4 25.1 1.0
SG B:CYS400 2.6 20.4 1.0
C4C B:HEM501 3.0 19.7 1.0
C1D B:HEM501 3.0 21.1 1.0
C1B B:HEM501 3.1 21.8 1.0
C4A B:HEM501 3.1 22.2 1.0
C4D B:HEM501 3.1 21.7 1.0
C1C B:HEM501 3.1 17.9 1.0
C1A B:HEM501 3.1 20.7 1.0
C4B B:HEM501 3.1 21.1 1.0
CB B:CYS400 3.3 22.8 1.0
CHD B:HEM501 3.4 24.3 1.0
CHB B:HEM501 3.4 23.1 1.0
CHA B:HEM501 3.5 20.3 1.0
CHC B:HEM501 3.5 16.7 1.0
CA B:CYS400 4.1 19.8 1.0
C3C B:HEM501 4.3 22.9 1.0
C2D B:HEM501 4.3 19.3 1.0
C3D B:HEM501 4.3 20.0 1.0
C2C B:HEM501 4.3 19.0 1.0
C2B B:HEM501 4.3 18.4 1.0
C3A B:HEM501 4.3 21.2 1.0
C2A B:HEM501 4.3 20.7 1.0
C3B B:HEM501 4.3 16.2 1.0
O B:ALA264 4.4 26.3 1.0
CB B:ALA264 4.5 25.0 1.0
N34 D:I7X1 4.6 30.3 1.0
C33 D:I7X1 4.7 31.2 1.0
C B:CYS400 4.9 21.3 1.0
N B:GLY402 4.9 20.6 1.0
C B:ALA264 4.9 23.6 1.0

Reference:

Y.Jiang, S.Dong, Y.Feng, Z.Cong. Crystal Structure of the P450 BM3 Heme Domain Mutant F87A in Complex with Im-C6-Tyr-Nap To Be Published.
Page generated: Thu Dec 28 06:02:03 2023

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