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Molybdenum in PDB 6jmh: Structure of the Oxomolybdenum Mesoporphyrin IX-Reconstituted CYP102A1 Haem Domain with N-Abietoyl-L-Tryptophan

Enzymatic activity of Structure of the Oxomolybdenum Mesoporphyrin IX-Reconstituted CYP102A1 Haem Domain with N-Abietoyl-L-Tryptophan

All present enzymatic activity of Structure of the Oxomolybdenum Mesoporphyrin IX-Reconstituted CYP102A1 Haem Domain with N-Abietoyl-L-Tryptophan:
1.14.14.1; 1.6.2.4;

Protein crystallography data

The structure of Structure of the Oxomolybdenum Mesoporphyrin IX-Reconstituted CYP102A1 Haem Domain with N-Abietoyl-L-Tryptophan, PDB code: 6jmh was solved by J.K.Stanfield, K.Omura, C.Kasai, H.Sugimoto, Y.Shiro, Y.Watanabe, O.Shoji, with X-Ray Crystallography technique. A brief refinement statistics is given in the table below:

Resolution Low / High (Å) 48.08 / 1.46
Space group P 1 21 1
Cell size a, b, c (Å), α, β, γ (°) 58.967, 148.910, 63.536, 90.00, 98.34, 90.00
R / Rfree (%) 12.6 / 16.8

Molybdenum Binding Sites:

The binding sites of Molybdenum atom in the Structure of the Oxomolybdenum Mesoporphyrin IX-Reconstituted CYP102A1 Haem Domain with N-Abietoyl-L-Tryptophan (pdb code 6jmh). 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 Haem Domain with N-Abietoyl-L-Tryptophan, PDB code: 6jmh:
Jump to Molybdenum binding site number: 1; 2;

Molybdenum binding site 1 out of 2 in 6jmh

Go back to Molybdenum Binding Sites List in 6jmh
Molybdenum binding site 1 out of 2 in the Structure of the Oxomolybdenum Mesoporphyrin IX-Reconstituted CYP102A1 Haem Domain with N-Abietoyl-L-Tryptophan


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 Haem Domain with N-Abietoyl-L-Tryptophan within 5.0Å range:
probe atom residue distance (Å) B Occ
A:Mo501

b:16.1
occ:1.00
MO A:MI9501 0.0 16.1 1.0
O A:MI9501 1.8 18.0 1.0
N24 A:MI9501 2.1 14.1 1.0
N37 A:MI9501 2.1 13.1 1.0
N31 A:MI9501 2.1 13.7 1.0
N14 A:MI9501 2.1 14.8 1.0
SG A:CYS400 2.7 15.3 1.0
C23 A:MI9501 3.1 14.8 1.0
C03 A:MI9501 3.1 14.5 1.0
C15 A:MI9501 3.1 15.8 1.0
C21 A:MI9501 3.1 14.7 1.0
C17 A:MI9501 3.1 15.7 1.0
C05 A:MI9501 3.1 14.8 1.0
C28 A:MI9501 3.1 14.5 1.0
C30 A:MI9501 3.1 14.2 1.0
C22 A:MI9501 3.4 14.5 1.0
C16 A:MI9501 3.4 16.0 1.0
C04 A:MI9501 3.4 14.3 1.0
C29 A:MI9501 3.5 15.1 1.0
CB A:CYS400 3.6 14.4 1.0
CE2 A:PHE87 4.1 21.8 0.5
C25 A:MI9501 4.3 14.6 1.0
C02 A:MI9501 4.3 16.0 1.0
C40 A:MI9501 4.3 16.7 1.0
C18 A:MI9501 4.3 16.1 1.0
C20 A:MI9501 4.3 16.8 1.0
C27 A:MI9501 4.3 16.0 1.0
C06 A:MI9501 4.3 14.7 1.0
CA A:CYS400 4.4 13.7 1.0
C08 A:MI9501 4.4 15.3 1.0
CB A:ALA264 4.5 22.5 1.0
CD2 A:PHE87 4.7 16.5 0.5
CG2 A:THR268 4.9 20.9 0.3

Molybdenum binding site 2 out of 2 in 6jmh

Go back to Molybdenum Binding Sites List in 6jmh
Molybdenum binding site 2 out of 2 in the Structure of the Oxomolybdenum Mesoporphyrin IX-Reconstituted CYP102A1 Haem Domain with N-Abietoyl-L-Tryptophan


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 Haem Domain with N-Abietoyl-L-Tryptophan within 5.0Å range:
probe atom residue distance (Å) B Occ
B:Mo501

b:15.9
occ:1.00
MO B:MI9501 0.0 15.9 1.0
O B:MI9501 1.8 18.3 1.0
N31 B:MI9501 2.1 13.7 1.0
N14 B:MI9501 2.1 12.4 1.0
N24 B:MI9501 2.1 13.0 1.0
N37 B:MI9501 2.1 11.9 1.0
SG B:CYS400 2.7 15.3 1.0
C15 B:MI9501 3.1 15.2 1.0
C03 B:MI9501 3.1 14.1 1.0
C05 B:MI9501 3.1 13.7 1.0
C23 B:MI9501 3.1 13.8 1.0
C17 B:MI9501 3.1 13.8 1.0
C30 B:MI9501 3.1 13.4 1.0
C21 B:MI9501 3.1 14.9 1.0
C28 B:MI9501 3.1 14.4 1.0
C16 B:MI9501 3.4 15.0 1.0
C04 B:MI9501 3.5 14.5 1.0
C29 B:MI9501 3.5 13.9 1.0
C22 B:MI9501 3.5 14.7 1.0
CB B:CYS400 3.7 15.2 1.0
CE2 B:PHE87 4.2 20.3 0.5
C40 B:MI9501 4.3 15.2 1.0
C02 B:MI9501 4.3 14.8 1.0
C25 B:MI9501 4.3 14.1 1.0
C20 B:MI9501 4.3 16.6 1.0
C18 B:MI9501 4.3 15.6 1.0
C06 B:MI9501 4.3 14.4 1.0
C27 B:MI9501 4.4 15.2 1.0
CA B:CYS400 4.4 14.4 1.0
C08 B:MI9501 4.4 14.1 1.0
CB B:ALA264 4.5 23.0 1.0
CD2 B:PHE87 4.8 19.8 0.5
CG2 B:THR268 4.8 34.7 0.7

Reference:

O.Shoji, J.K.Stanfield. Structure of Oxomolybdenum Mesoporphyrin IX-Reconstituted CYP102A1 Haem Domain with N-Abietoyl-L-Tryptophan at 1.46 Angstrom Resolution To Be Published.
Page generated: Tue Dec 15 05:20:39 2020

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