Atomistry » Molybdenum » PDB 6op4-8ccq » 7wy3
Atomistry »
  Molybdenum »
    PDB 6op4-8ccq »
      7wy3 »

Molybdenum in PDB 7wy3: Structure of the Oxomolybdenum Mesoporphyrin IX-Reconstituted CYP102A1 F87V Mutant Haem Domain with N-(5-Cyclohexyl)Valeroyl-L-Phenylalanine in Complex with Styrene

Enzymatic activity of Structure of the Oxomolybdenum Mesoporphyrin IX-Reconstituted CYP102A1 F87V Mutant Haem Domain with N-(5-Cyclohexyl)Valeroyl-L-Phenylalanine in Complex with Styrene

All present enzymatic activity of Structure of the Oxomolybdenum Mesoporphyrin IX-Reconstituted CYP102A1 F87V Mutant Haem Domain with N-(5-Cyclohexyl)Valeroyl-L-Phenylalanine in Complex with Styrene:
1.14.14.1; 1.6.2.4;

Protein crystallography data

The structure of Structure of the Oxomolybdenum Mesoporphyrin IX-Reconstituted CYP102A1 F87V Mutant Haem Domain with N-(5-Cyclohexyl)Valeroyl-L-Phenylalanine in Complex with Styrene, PDB code: 7wy3 was solved by K.Suzuki, J.K.Stanfield, Y.Shisaka, K.Omura, C.Kasai, H.Sugimoto, O.Shoji, with X-Ray Crystallography technique. A brief refinement statistics is given in the table below:

Resolution Low / High (Å) 48.58 / 1.60
Space group P 21 21 21
Cell size a, b, c (Å), α, β, γ (°) 58.67, 128.38, 148.64, 90, 90, 90
R / Rfree (%) 14.8 / 19.6

Other elements in 7wy3:

The structure of Structure of the Oxomolybdenum Mesoporphyrin IX-Reconstituted CYP102A1 F87V Mutant Haem Domain with N-(5-Cyclohexyl)Valeroyl-L-Phenylalanine in Complex with Styrene also contains other interesting chemical elements:

Chlorine (Cl) 2 atoms

Molybdenum Binding Sites:

The binding sites of Molybdenum atom in the Structure of the Oxomolybdenum Mesoporphyrin IX-Reconstituted CYP102A1 F87V Mutant Haem Domain with N-(5-Cyclohexyl)Valeroyl-L-Phenylalanine in Complex with Styrene (pdb code 7wy3). This binding sites where shown within 5.0 Angstroms radius around Molybdenum atom.
In total 2 binding sites of Molybdenum where determined in the Structure of the Oxomolybdenum Mesoporphyrin IX-Reconstituted CYP102A1 F87V Mutant Haem Domain with N-(5-Cyclohexyl)Valeroyl-L-Phenylalanine in Complex with Styrene, PDB code: 7wy3:
Jump to Molybdenum binding site number: 1; 2;

Molybdenum binding site 1 out of 2 in 7wy3

Go back to Molybdenum Binding Sites List in 7wy3
Molybdenum binding site 1 out of 2 in the Structure of the Oxomolybdenum Mesoporphyrin IX-Reconstituted CYP102A1 F87V Mutant Haem Domain with N-(5-Cyclohexyl)Valeroyl-L-Phenylalanine in Complex with Styrene


Mono view


Stereo pair view

A full contact list of Molybdenum with other atoms in the Mo binding site number 1 of Structure of the Oxomolybdenum Mesoporphyrin IX-Reconstituted CYP102A1 F87V Mutant Haem Domain with N-(5-Cyclohexyl)Valeroyl-L-Phenylalanine in Complex with Styrene within 5.0Å range:
probe atom residue distance (Å) B Occ
A:Mo501

b:20.6
occ:1.00
 MO A:MI9501 0.0 20.6 1.0
O A:MI9501 1.7 20.2 1.0
N14 A:MI9501 2.1 17.9 1.0
N31 A:MI9501 2.1 21.2 1.0
N37 A:MI9501 2.1 18.0 1.0
N24 A:MI9501 2.1 20.9 1.0
SG A:CYS400 2.8 21.3 1.0
C21 A:MI9501 3.1 21.2 1.0
C15 A:MI9501 3.1 19.4 1.0
C05 A:MI9501 3.1 20.3 1.0
C03 A:MI9501 3.1 18.9 1.0
C23 A:MI9501 3.1 19.6 1.0
C17 A:MI9501 3.1 19.3 1.0
C30 A:MI9501 3.1 21.5 1.0
C28 A:MI9501 3.1 20.7 1.0
C22 A:MI9501 3.5 20.6 1.0
C16 A:MI9501 3.5 21.6 1.0
C04 A:MI9501 3.5 20.1 1.0
C29 A:MI9501 3.5 19.8 1.0
CB A:CYS400 3.8 19.5 1.0
C20 A:MI9501 4.3 20.9 1.0
C40 A:MI9501 4.3 20.4 1.0
C25 A:MI9501 4.3 21.9 1.0
C18 A:MI9501 4.3 19.9 1.0
C02 A:MI9501 4.3 20.5 1.0
C06 A:MI9501 4.3 18.1 1.0
C27 A:MI9501 4.3 19.7 1.0
C08 A:MI9501 4.4 20.6 1.0
CA A:CYS400 4.5 20.3 1.0
CAB A:SYN503 4.6 45.9 1.0
CG2 A:THR268 4.7 32.6 1.0
CB A:ALA264 4.7 25.4 1.0
CAG A:SYN503 5.0 36.5 1.0

Molybdenum binding site 2 out of 2 in 7wy3

Go back to Molybdenum Binding Sites List in 7wy3
Molybdenum binding site 2 out of 2 in the Structure of the Oxomolybdenum Mesoporphyrin IX-Reconstituted CYP102A1 F87V Mutant Haem Domain with N-(5-Cyclohexyl)Valeroyl-L-Phenylalanine in Complex with Styrene


Mono view


Stereo pair view

A full contact list of Molybdenum with other atoms in the Mo binding site number 2 of Structure of the Oxomolybdenum Mesoporphyrin IX-Reconstituted CYP102A1 F87V Mutant Haem Domain with N-(5-Cyclohexyl)Valeroyl-L-Phenylalanine in Complex with Styrene within 5.0Å range:
probe atom residue distance (Å) B Occ
B:Mo501

b:21.1
occ:1.00
 MO B:MI9501 0.0 21.1 1.0
O B:MI9501 1.8 20.2 1.0
N14 B:MI9501 2.1 19.1 1.0
N37 B:MI9501 2.1 18.8 1.0
N31 B:MI9501 2.1 20.6 1.0
N24 B:MI9501 2.1 20.2 1.0
SG B:CYS400 2.8 21.3 1.0
C21 B:MI9501 3.1 20.9 1.0
C23 B:MI9501 3.1 20.4 1.0
C05 B:MI9501 3.1 21.4 1.0
C03 B:MI9501 3.1 19.5 1.0
C28 B:MI9501 3.1 22.4 1.0
C17 B:MI9501 3.1 22.4 1.0
C30 B:MI9501 3.1 21.0 1.0
C15 B:MI9501 3.1 20.5 1.0
C22 B:MI9501 3.5 22.8 1.0
C29 B:MI9501 3.5 20.5 1.0
C04 B:MI9501 3.5 20.4 1.0
C16 B:MI9501 3.5 20.7 1.0
CB B:CYS400 3.8 20.1 1.0
C20 B:MI9501 4.3 20.2 1.0
C25 B:MI9501 4.3 21.9 1.0
C40 B:MI9501 4.3 21.0 1.0
C02 B:MI9501 4.3 19.9 1.0
C06 B:MI9501 4.3 18.5 1.0
C18 B:MI9501 4.3 22.7 1.0
C27 B:MI9501 4.3 19.8 1.0
C08 B:MI9501 4.4 19.7 1.0
CA B:CYS400 4.4 20.8 1.0
CAB B:SYN503 4.6 48.9 1.0
CG2 B:THR268 4.6 30.4 1.0
CB B:ALA264 4.7 27.3 1.0

Reference:

K.Suzuki, J.K.Stanfield, K.Omura, Y.Shisaka, S.Ariyasu, C.Kasai, Y.Aiba, H.Sugimoto, O.Shoji. A Compound I Mimic Reveals the Transient Active Species of A Cytochrome P450 Enzyme: Insight Into the Stereoselectivity of P450-Catalysed Oxidations. Angew.Chem.Int.Ed.Engl. 2022.
ISSN: ESSN 1521-3773
PubMed: 36519803
DOI: 10.1002/ANIE.202215706
Page generated: Sun Oct 6 17:04:35 2024

Last articles

Zn in 9JPJ
Zn in 9JP7
Zn in 9JPK
Zn in 9JPL
Zn in 9GN6
Zn in 9GN7
Zn in 9GKU
Zn in 9GKW
Zn in 9GKX
Zn in 9GL0
© Copyright 2008-2020 by atomistry.com
Home   |    Site Map   |    Copyright   |    Contact us   |    Privacy