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Molybdenum in PDB 7w9j: Crystal Structure of the Oxomolybdenum Mesoporphyrin IX-Reconstituted CYP102A1 (P450BM3) Heme Domain with N-Dodecanoyl-L-Homoserine Lactone

Enzymatic activity of Crystal Structure of the Oxomolybdenum Mesoporphyrin IX-Reconstituted CYP102A1 (P450BM3) Heme Domain with N-Dodecanoyl-L-Homoserine Lactone

All present enzymatic activity of Crystal Structure of the Oxomolybdenum Mesoporphyrin IX-Reconstituted CYP102A1 (P450BM3) Heme Domain with N-Dodecanoyl-L-Homoserine Lactone:
1.14.14.1; 1.6.2.4;

Protein crystallography data

The structure of Crystal Structure of the Oxomolybdenum Mesoporphyrin IX-Reconstituted CYP102A1 (P450BM3) Heme Domain with N-Dodecanoyl-L-Homoserine Lactone, PDB code: 7w9j was solved by M.Karasawa, J.K.Stanfield, 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) 49.63 / 1.75
Space group P 21 21 21
Cell size a, b, c (Å), α, β, γ (°) 58.295, 121.827, 148.689, 90, 90, 90
R / Rfree (%) 17.8 / 21

Molybdenum Binding Sites:

The binding sites of Molybdenum atom in the Crystal Structure of the Oxomolybdenum Mesoporphyrin IX-Reconstituted CYP102A1 (P450BM3) Heme Domain with N-Dodecanoyl-L-Homoserine Lactone (pdb code 7w9j). This binding sites where shown within 5.0 Angstroms radius around Molybdenum atom.
In total 2 binding sites of Molybdenum where determined in the Crystal Structure of the Oxomolybdenum Mesoporphyrin IX-Reconstituted CYP102A1 (P450BM3) Heme Domain with N-Dodecanoyl-L-Homoserine Lactone, PDB code: 7w9j:
Jump to Molybdenum binding site number: 1; 2;

Molybdenum binding site 1 out of 2 in 7w9j

Go back to Molybdenum Binding Sites List in 7w9j
Molybdenum binding site 1 out of 2 in the Crystal Structure of the Oxomolybdenum Mesoporphyrin IX-Reconstituted CYP102A1 (P450BM3) Heme Domain with N-Dodecanoyl-L-Homoserine Lactone


Mono view


Stereo pair view

A full contact list of Molybdenum with other atoms in the Mo binding site number 1 of Crystal Structure of the Oxomolybdenum Mesoporphyrin IX-Reconstituted CYP102A1 (P450BM3) Heme Domain with N-Dodecanoyl-L-Homoserine Lactone within 5.0Å range:
probe atom residue distance (Å) B Occ
A:Mo501

b:18.3
occ:1.00
MO A:MI9501 0.0 18.3 1.0
O A:MI9501 1.7 17.1 1.0
N24 A:MI9501 2.1 15.0 1.0
N31 A:MI9501 2.1 19.2 1.0
N37 A:MI9501 2.1 14.4 1.0
N14 A:MI9501 2.1 13.5 1.0
SG A:CYS400 2.7 19.1 1.0
C21 A:MI9501 3.1 15.2 1.0
C03 A:MI9501 3.1 15.7 1.0
C17 A:MI9501 3.1 15.6 1.0
C05 A:MI9501 3.1 11.2 1.0
C23 A:MI9501 3.1 16.3 1.0
C28 A:MI9501 3.1 18.5 1.0
C15 A:MI9501 3.1 16.8 1.0
C30 A:MI9501 3.1 10.8 1.0
C22 A:MI9501 3.4 17.6 1.0
C04 A:MI9501 3.4 12.8 1.0
C16 A:MI9501 3.5 15.8 1.0
C29 A:MI9501 3.5 14.4 1.0
CB A:CYS400 3.8 18.2 1.0
CE2 A:PHE87 4.2 20.2 1.0
C02 A:MI9501 4.3 17.0 1.0
C25 A:MI9501 4.3 18.2 1.0
C20 A:MI9501 4.3 17.8 1.0
C18 A:MI9501 4.3 18.0 1.0
C40 A:MI9501 4.4 15.7 1.0
C06 A:MI9501 4.4 16.4 1.0
C27 A:MI9501 4.4 16.5 1.0
C08 A:MI9501 4.4 16.3 1.0
CA A:CYS400 4.5 16.4 1.0
CB A:ALA264 4.5 32.2 1.0
OG1 A:THR268 4.7 22.1 1.0
CG2 A:THR268 4.8 22.5 1.0
CD2 A:PHE87 4.8 20.9 1.0

Molybdenum binding site 2 out of 2 in 7w9j

Go back to Molybdenum Binding Sites List in 7w9j
Molybdenum binding site 2 out of 2 in the Crystal Structure of the Oxomolybdenum Mesoporphyrin IX-Reconstituted CYP102A1 (P450BM3) Heme Domain with N-Dodecanoyl-L-Homoserine Lactone


Mono view


Stereo pair view

A full contact list of Molybdenum with other atoms in the Mo binding site number 2 of Crystal Structure of the Oxomolybdenum Mesoporphyrin IX-Reconstituted CYP102A1 (P450BM3) Heme Domain with N-Dodecanoyl-L-Homoserine Lactone within 5.0Å range:
probe atom residue distance (Å) B Occ
B:Mo501

b:17.9
occ:1.00
MO B:MI9501 0.0 17.9 1.0
O B:MI9501 1.7 14.4 1.0
N24 B:MI9501 2.1 13.8 1.0
N31 B:MI9501 2.1 20.7 1.0
N37 B:MI9501 2.1 12.8 1.0
N14 B:MI9501 2.1 13.0 1.0
SG B:CYS400 2.7 16.9 1.0
C15 B:MI9501 3.1 15.2 1.0
C03 B:MI9501 3.1 17.7 1.0
C17 B:MI9501 3.1 15.3 1.0
C05 B:MI9501 3.1 13.0 1.0
C28 B:MI9501 3.1 14.6 1.0
C21 B:MI9501 3.1 15.8 1.0
C23 B:MI9501 3.1 16.9 1.0
C30 B:MI9501 3.1 11.7 1.0
C16 B:MI9501 3.4 16.4 1.0
C04 B:MI9501 3.4 16.1 1.0
C29 B:MI9501 3.5 16.7 1.0
C22 B:MI9501 3.5 14.4 1.0
CB B:CYS400 3.8 19.0 1.0
C25 B:MI9501 4.3 17.8 1.0
C02 B:MI9501 4.3 16.0 1.0
CE2 B:PHE87 4.3 28.4 1.0
C40 B:MI9501 4.3 13.0 1.0
C27 B:MI9501 4.4 16.4 1.0
C18 B:MI9501 4.4 17.6 1.0
C20 B:MI9501 4.4 19.9 1.0
C06 B:MI9501 4.4 20.0 1.0
C08 B:MI9501 4.4 13.7 1.0
CA B:CYS400 4.5 13.0 1.0
CG2 B:THR268 4.7 19.6 1.0
CB B:ALA264 4.7 33.7 1.0
CD2 B:PHE87 4.8 34.5 1.0
OG1 B:THR268 5.0 20.1 1.0

Reference:

M.Karasawa, J.K.Stanfield, C.Kasai, H.Sugimoto, O.Shoji. Crystal Structure of the Oxomolybdenum Mesoporphyrin IX-Reconstituted CYP102A1 (P450BM3) Heme Domain with N-Dodecanoyl-L-Homoserine Lactone To Be Published.
Page generated: Sun Oct 6 17:03:22 2024

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