Atomistry » Iron » PDB 8xnq-8z4q » 8yaz
Atomistry »
  Iron »
    PDB 8xnq-8z4q »
      8yaz »

Iron in PDB 8yaz: Xfel Crystal Structure of the Oxidized Form of F87A/F393H P450BM3 with N-Enanthyl-L-Prolyl-L-Phenylalanine in Complex with Styrene

Enzymatic activity of Xfel Crystal Structure of the Oxidized Form of F87A/F393H P450BM3 with N-Enanthyl-L-Prolyl-L-Phenylalanine in Complex with Styrene

All present enzymatic activity of Xfel Crystal Structure of the Oxidized Form of F87A/F393H P450BM3 with N-Enanthyl-L-Prolyl-L-Phenylalanine in Complex with Styrene:
1.14.14.1; 1.6.2.4;

Protein crystallography data

The structure of Xfel Crystal Structure of the Oxidized Form of F87A/F393H P450BM3 with N-Enanthyl-L-Prolyl-L-Phenylalanine in Complex with Styrene, PDB code: 8yaz was solved by S.Nagao, W.Kuwano, T.Tosha, K.Yamashita, J.K.Stanfield, C.Kasai, S.Ariyasu, O.Shoji, H.Sugimoto, M.Kubo, with X-Ray Crystallography technique. A brief refinement statistics is given in the table below:

Resolution Low / High (Å) 9.98 / 1.85
Space group P 21 21 21
Cell size a, b, c (Å), α, β, γ (°) 58.9, 128.44, 149.05, 90, 90, 90
R / Rfree (%) 18.6 / 22

Iron Binding Sites:

The binding sites of Iron atom in the Xfel Crystal Structure of the Oxidized Form of F87A/F393H P450BM3 with N-Enanthyl-L-Prolyl-L-Phenylalanine in Complex with Styrene (pdb code 8yaz). This binding sites where shown within 5.0 Angstroms radius around Iron atom.
In total 2 binding sites of Iron where determined in the Xfel Crystal Structure of the Oxidized Form of F87A/F393H P450BM3 with N-Enanthyl-L-Prolyl-L-Phenylalanine in Complex with Styrene, PDB code: 8yaz:
Jump to Iron binding site number: 1; 2;

Iron binding site 1 out of 2 in 8yaz

Go back to Iron Binding Sites List in 8yaz
Iron binding site 1 out of 2 in the Xfel Crystal Structure of the Oxidized Form of F87A/F393H P450BM3 with N-Enanthyl-L-Prolyl-L-Phenylalanine in Complex with Styrene


Mono view


Stereo pair view

A full contact list of Iron with other atoms in the Fe binding site number 1 of Xfel Crystal Structure of the Oxidized Form of F87A/F393H P450BM3 with N-Enanthyl-L-Prolyl-L-Phenylalanine in Complex with Styrene within 5.0Å range:
probe atom residue distance (Å) B Occ
A:Fe501

b:30.8
occ:1.00
 FE A:HEM501 0.0 30.8 1.0
ND A:HEM501 1.9 28.4 1.0
NA A:HEM501 2.0 29.7 1.0
NB A:HEM501 2.1 31.0 1.0
NC A:HEM501 2.1 32.4 1.0
O A:HOH714 2.1 33.4 0.5
SG A:CYS400 2.2 32.3 1.0
C1D A:HEM501 2.9 30.7 1.0
C4D A:HEM501 2.9 29.4 1.0
C1A A:HEM501 3.0 30.1 1.0
C4C A:HEM501 3.1 30.4 1.0
C1B A:HEM501 3.1 33.3 1.0
C4B A:HEM501 3.1 32.8 1.0
C4A A:HEM501 3.1 31.3 1.0
C1C A:HEM501 3.1 31.8 1.0
CB A:CYS400 3.2 27.8 1.0
CHD A:HEM501 3.4 30.8 1.0
CHA A:HEM501 3.4 33.0 1.0
CHB A:HEM501 3.5 32.6 1.0
CHC A:HEM501 3.5 30.8 1.0
CAD A:SYN503 3.8 38.8 0.7
CA A:CYS400 3.9 28.8 1.0
C2D A:HEM501 4.2 33.8 1.0
CAC A:SYN503 4.2 38.5 0.7
C3D A:HEM501 4.2 29.9 1.0
C2A A:HEM501 4.2 32.1 1.0
C3A A:HEM501 4.3 28.3 1.0
C3C A:HEM501 4.3 32.9 1.0
C2B A:HEM501 4.3 29.8 1.0
C2C A:HEM501 4.3 31.7 1.0
C3B A:HEM501 4.3 30.2 1.0
C A:CYS400 4.7 33.6 1.0
N A:GLY402 4.8 32.7 1.0
CAF A:SYN503 4.9 39.7 0.7
N A:ILE401 5.0 33.6 1.0

Iron binding site 2 out of 2 in 8yaz

Go back to Iron Binding Sites List in 8yaz
Iron binding site 2 out of 2 in the Xfel Crystal Structure of the Oxidized Form of F87A/F393H P450BM3 with N-Enanthyl-L-Prolyl-L-Phenylalanine in Complex with Styrene


Mono view


Stereo pair view

A full contact list of Iron with other atoms in the Fe binding site number 2 of Xfel Crystal Structure of the Oxidized Form of F87A/F393H P450BM3 with N-Enanthyl-L-Prolyl-L-Phenylalanine in Complex with Styrene within 5.0Å range:
probe atom residue distance (Å) B Occ
B:Fe501

b:31.0
occ:1.00
 FE B:HEM501 0.0 31.0 1.0
ND B:HEM501 1.9 27.5 1.0
NA B:HEM501 2.0 30.9 1.0
NC B:HEM501 2.1 31.5 1.0
NB B:HEM501 2.1 29.9 1.0
O B:HOH754 2.1 32.5 0.6
SG B:CYS400 2.2 32.5 1.0
C1D B:HEM501 2.9 31.0 1.0
C4D B:HEM501 2.9 32.3 1.0
C1A B:HEM501 3.0 31.6 1.0
C4B B:HEM501 3.0 31.6 1.0
C1B B:HEM501 3.0 29.0 1.0
C4C B:HEM501 3.1 33.2 1.0
C4A B:HEM501 3.1 30.7 1.0
C1C B:HEM501 3.1 35.0 1.0
CB B:CYS400 3.2 30.0 1.0
CHA B:HEM501 3.4 32.7 1.0
CHD B:HEM501 3.4 31.0 1.0
CHB B:HEM501 3.4 30.7 1.0
CHC B:HEM501 3.5 32.5 1.0
CAD B:SYN503 3.7 40.4 0.7
CA B:CYS400 4.0 28.6 1.0
C2D B:HEM501 4.2 31.9 1.0
C3D B:HEM501 4.2 29.8 1.0
C2A B:HEM501 4.2 30.6 1.0
C3A B:HEM501 4.2 30.5 1.0
C2B B:HEM501 4.3 27.5 1.0
C3C B:HEM501 4.3 32.4 1.0
C3B B:HEM501 4.3 29.9 1.0
C2C B:HEM501 4.3 34.5 1.0
CAF B:SYN503 4.5 42.8 0.7
CAC B:SYN503 4.6 35.5 0.7
C B:CYS400 4.7 30.9 1.0
N B:GLY402 4.8 35.7 1.0
CB B:ALA264 4.9 41.0 1.0
N B:ILE401 5.0 31.1 1.0
ND1 B:HIS393 5.0 38.2 1.0

Reference:

S.Nagao, W.Kuwano, T.Tosha, K.Yamashita, J.K.Stanfield, C.Kasai, S.Ariyasu, O.Shoji, H.Sugimoto, M.Kubo. Xfel Crystallography Reveals Dynamic Control of Non-Natural Substrate Binding in Cytochrome P450BM3 Catalytic Cycle To Be Published.
Page generated: Tue Feb 25 09:56:46 2025

Last articles

Fe in 2YXO
Fe in 2YRS
Fe in 2YXC
Fe in 2YNM
Fe in 2YVJ
Fe in 2YP1
Fe in 2YU2
Fe in 2YU1
Fe in 2YQB
Fe in 2YOO
© Copyright 2008-2020 by atomistry.com
Home   |    Site Map   |    Copyright   |    Contact us   |    Privacy