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Iron in PDB 5b2x: Crystal Structure of P450BM3 Mutant with N-Perfluoroheptanoyl-L- Tryptophan

Enzymatic activity of Crystal Structure of P450BM3 Mutant with N-Perfluoroheptanoyl-L- Tryptophan

All present enzymatic activity of Crystal Structure of P450BM3 Mutant with N-Perfluoroheptanoyl-L- Tryptophan:
1.14.14.1; 1.6.2.4;

Protein crystallography data

The structure of Crystal Structure of P450BM3 Mutant with N-Perfluoroheptanoyl-L- Tryptophan, PDB code: 5b2x was solved by Z.Cong, O.Shoji, C.Kasai, H.Sugimoto, Y.Shiro, Y.Watanabe, with X-Ray Crystallography technique. A brief refinement statistics is given in the table below:

Resolution Low / High (Å) 19.17 / 1.90
Space group P 1 21 1
Cell size a, b, c (Å), α, β, γ (°) 58.402, 147.355, 64.301, 90.00, 100.10, 90.00
R / Rfree (%) 18 / 21.6

Other elements in 5b2x:

The structure of Crystal Structure of P450BM3 Mutant with N-Perfluoroheptanoyl-L- Tryptophan also contains other interesting chemical elements:

Fluorine (F) 26 atoms

Iron Binding Sites:

The binding sites of Iron atom in the Crystal Structure of P450BM3 Mutant with N-Perfluoroheptanoyl-L- Tryptophan (pdb code 5b2x). 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 P450BM3 Mutant with N-Perfluoroheptanoyl-L- Tryptophan, PDB code: 5b2x:
Jump to Iron binding site number: 1; 2;

Iron binding site 1 out of 2 in 5b2x

Go back to Iron Binding Sites List in 5b2x
Iron binding site 1 out of 2 in the Crystal Structure of P450BM3 Mutant with N-Perfluoroheptanoyl-L- Tryptophan


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 P450BM3 Mutant with N-Perfluoroheptanoyl-L- Tryptophan within 5.0Å range:
probe atom residue distance (Å) B Occ
A:Fe501

b:12.4
occ:1.00
FE A:HEM501 0.0 12.4 1.0
ND A:HEM501 1.9 12.1 1.0
NA A:HEM501 2.0 11.4 1.0
NC A:HEM501 2.1 12.4 1.0
NB A:HEM501 2.1 12.2 1.0
SG A:CYS400 2.3 12.0 1.0
S A:DMS503 2.4 22.1 1.0
C4D A:HEM501 2.9 11.8 1.0
C1D A:HEM501 3.0 12.0 1.0
O A:DMS503 3.0 24.3 1.0
C4A A:HEM501 3.0 11.5 1.0
C1A A:HEM501 3.0 11.6 1.0
C4B A:HEM501 3.0 12.7 1.0
C1B A:HEM501 3.0 12.1 1.0
C4C A:HEM501 3.1 12.8 1.0
C1C A:HEM501 3.1 13.1 1.0
CB A:CYS400 3.3 11.7 1.0
CHA A:HEM501 3.4 11.8 1.0
CHD A:HEM501 3.4 12.5 1.0
CHB A:HEM501 3.4 11.3 1.0
CHC A:HEM501 3.5 12.9 1.0
C2 A:DMS503 3.6 22.7 1.0
C1 A:DMS503 3.6 22.1 1.0
CA A:CYS400 4.1 11.6 1.0
C3A A:HEM501 4.2 10.9 1.0
C3D A:HEM501 4.2 12.1 1.0
C2D A:HEM501 4.2 12.2 1.0
C2A A:HEM501 4.2 11.2 1.0
C3C A:HEM501 4.3 13.6 1.0
C2B A:HEM501 4.3 12.0 1.0
C2C A:HEM501 4.3 13.2 1.0
C3B A:HEM501 4.3 12.5 1.0
N A:GLY402 4.8 12.1 1.0
C A:CYS400 4.8 11.6 1.0

Iron binding site 2 out of 2 in 5b2x

Go back to Iron Binding Sites List in 5b2x
Iron binding site 2 out of 2 in the Crystal Structure of P450BM3 Mutant with N-Perfluoroheptanoyl-L- Tryptophan


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 P450BM3 Mutant with N-Perfluoroheptanoyl-L- Tryptophan within 5.0Å range:
probe atom residue distance (Å) B Occ
B:Fe501

b:10.7
occ:1.00
FE B:HEM501 0.0 10.7 1.0
ND B:HEM501 1.9 10.3 1.0
NA B:HEM501 2.0 10.2 1.0
NC B:HEM501 2.1 10.6 1.0
NB B:HEM501 2.1 10.8 1.0
SG B:CYS400 2.3 11.2 1.0
S B:DMS502 2.4 17.9 1.0
C1D B:HEM501 2.9 10.4 1.0
C4D B:HEM501 2.9 10.3 1.0
C4C B:HEM501 3.0 10.8 1.0
C4B B:HEM501 3.0 11.0 1.0
C1A B:HEM501 3.0 10.5 1.0
C4A B:HEM501 3.0 10.5 1.0
O B:DMS502 3.1 19.1 1.0
C1C B:HEM501 3.1 10.9 1.0
C1B B:HEM501 3.1 11.2 1.0
CB B:CYS400 3.3 10.8 1.0
CHD B:HEM501 3.4 10.5 1.0
CHA B:HEM501 3.4 10.5 1.0
CHC B:HEM501 3.4 11.1 1.0
CHB B:HEM501 3.5 10.8 1.0
C1 B:DMS502 3.5 18.2 1.0
C2 B:DMS502 3.6 18.1 1.0
CA B:CYS400 4.0 10.5 1.0
C2D B:HEM501 4.2 10.2 1.0
C3D B:HEM501 4.2 10.2 1.0
C2A B:HEM501 4.2 10.2 1.0
C3A B:HEM501 4.2 10.3 1.0
C3C B:HEM501 4.3 11.3 1.0
C2C B:HEM501 4.3 11.2 1.0
C3B B:HEM501 4.3 11.7 1.0
C2B B:HEM501 4.3 11.5 1.0
C B:CYS400 4.8 10.8 1.0
N B:GLY402 4.8 11.7 1.0
CB B:ALA264 5.0 15.1 1.0

Reference:

Z.Cong, O.Shoji, C.Kasai, H.Sugimoto, Y.Shiro, Y.Watanabe. Crystal Structure of P450BM3 with Decoy Molecules To Be Published.
Page generated: Sun Dec 13 15:56:40 2020

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