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Ruthenium in PDB 5jq2: Crystal Structure of the Ru(Bpy)2PHENA Functionalized P450 BM3 L407C Heme Domain Mutant in Complex with N-Palmitoylglycine

Enzymatic activity of Crystal Structure of the Ru(Bpy)2PHENA Functionalized P450 BM3 L407C Heme Domain Mutant in Complex with N-Palmitoylglycine

All present enzymatic activity of Crystal Structure of the Ru(Bpy)2PHENA Functionalized P450 BM3 L407C Heme Domain Mutant in Complex with N-Palmitoylglycine:
1.14.14.1; 1.6.2.4;

Protein crystallography data

The structure of Crystal Structure of the Ru(Bpy)2PHENA Functionalized P450 BM3 L407C Heme Domain Mutant in Complex with N-Palmitoylglycine, PDB code: 5jq2 was solved by M.Kloos, with X-Ray Crystallography technique. A brief refinement statistics is given in the table below:

Resolution Low / High (Å) 47.54 / 2.00
Space group P 21 21 21
Cell size a, b, c (Å), α, β, γ (°) 59.880, 112.540, 156.360, 90.00, 90.00, 90.00
R / Rfree (%) 17.4 / 21.8

Other elements in 5jq2:

The structure of Crystal Structure of the Ru(Bpy)2PHENA Functionalized P450 BM3 L407C Heme Domain Mutant in Complex with N-Palmitoylglycine also contains other interesting chemical elements:

Iron (Fe) 2 atoms

Ruthenium Binding Sites:

The binding sites of Ruthenium atom in the Crystal Structure of the Ru(Bpy)2PHENA Functionalized P450 BM3 L407C Heme Domain Mutant in Complex with N-Palmitoylglycine (pdb code 5jq2). This binding sites where shown within 5.0 Angstroms radius around Ruthenium atom.
In total 2 binding sites of Ruthenium where determined in the Crystal Structure of the Ru(Bpy)2PHENA Functionalized P450 BM3 L407C Heme Domain Mutant in Complex with N-Palmitoylglycine, PDB code: 5jq2:
Jump to Ruthenium binding site number: 1; 2;

Ruthenium binding site 1 out of 2 in 5jq2

Go back to Ruthenium Binding Sites List in 5jq2
Ruthenium binding site 1 out of 2 in the Crystal Structure of the Ru(Bpy)2PHENA Functionalized P450 BM3 L407C Heme Domain Mutant in Complex with N-Palmitoylglycine


Mono view


Stereo pair view

A full contact list of Ruthenium with other atoms in the Ru binding site number 1 of Crystal Structure of the Ru(Bpy)2PHENA Functionalized P450 BM3 L407C Heme Domain Mutant in Complex with N-Palmitoylglycine within 5.0Å range:
probe atom residue distance (Å) B Occ
A:Ru503

b:30.7
occ:0.80
 RU1 A:RU8503 0.0 30.7 0.8
N33 A:RU8503 2.0 26.4 0.8
N22 A:RU8503 2.0 31.1 0.8
N41 A:RU8503 2.1 31.0 0.8
N34 A:RU8503 2.1 35.6 0.8
N13 A:RU8503 2.1 29.9 0.8
N10 A:RU8503 2.1 28.0 0.8
C28 A:RU8503 2.8 29.5 0.8
C27 A:RU8503 2.8 33.3 0.8
C14 A:RU8503 2.9 29.0 0.8
C40 A:RU8503 2.9 32.4 0.8
C11 A:RU8503 2.9 27.3 0.8
C39 A:RU8503 2.9 34.2 0.8
C45 A:RU8503 3.0 29.3 0.8
C23 A:RU8503 3.0 32.1 0.8
C32 A:RU8503 3.0 29.8 0.8
C35 A:RU8503 3.1 37.3 0.8
C15 A:RU8503 3.1 31.0 0.8
C08 A:RU8503 3.2 26.6 0.8
C29 A:RU8503 4.1 30.4 0.8
C26 A:RU8503 4.1 33.6 0.8
C42 A:RU8503 4.2 31.1 0.8
C21 A:RU8503 4.3 29.6 0.8
C38 A:RU8503 4.3 35.4 0.8
C24 A:RU8503 4.3 34.0 0.8
C44 A:RU8503 4.3 30.0 0.8
C31 A:RU8503 4.3 29.5 0.8
C02 A:RU8503 4.3 25.6 0.8
C17 A:RU8503 4.4 29.3 0.8
C36 A:RU8503 4.4 38.3 0.8
C06 A:RU8503 4.5 24.6 0.8
C25 A:RU8503 4.8 33.3 0.8
C30 A:RU8503 4.8 30.5 0.8
C43 A:RU8503 4.8 29.0 0.8
C19 A:RU8503 4.8 30.6 0.8
C37 A:RU8503 4.9 35.1 0.8
C01 A:RU8503 4.9 24.0 0.8

Ruthenium binding site 2 out of 2 in 5jq2

Go back to Ruthenium Binding Sites List in 5jq2
Ruthenium binding site 2 out of 2 in the Crystal Structure of the Ru(Bpy)2PHENA Functionalized P450 BM3 L407C Heme Domain Mutant in Complex with N-Palmitoylglycine


Mono view


Stereo pair view

A full contact list of Ruthenium with other atoms in the Ru binding site number 2 of Crystal Structure of the Ru(Bpy)2PHENA Functionalized P450 BM3 L407C Heme Domain Mutant in Complex with N-Palmitoylglycine within 5.0Å range:
probe atom residue distance (Å) B Occ
B:Ru503

b:27.6
occ:0.70
 RU1 B:RU8503 0.0 27.6 0.7
N22 B:RU8503 2.1 27.7 0.7
N33 B:RU8503 2.1 27.1 0.7
N34 B:RU8503 2.1 27.9 0.7
N10 B:RU8503 2.1 26.3 0.7
N41 B:RU8503 2.1 28.0 0.7
N13 B:RU8503 2.1 26.3 0.7
C28 B:RU8503 2.8 27.1 0.7
C27 B:RU8503 2.8 27.1 0.7
C40 B:RU8503 2.9 27.7 0.7
C11 B:RU8503 2.9 26.3 0.7
C39 B:RU8503 2.9 27.8 0.7
C14 B:RU8503 2.9 25.4 0.7
C45 B:RU8503 3.1 28.0 0.7
C23 B:RU8503 3.1 28.6 0.7
C32 B:RU8503 3.1 27.6 0.7
C35 B:RU8503 3.1 30.6 0.7
C08 B:RU8503 3.1 29.1 0.7
C15 B:RU8503 3.1 26.9 0.7
C29 B:RU8503 4.2 29.7 0.7
C26 B:RU8503 4.2 27.1 0.7
C42 B:RU8503 4.2 29.5 0.7
C38 B:RU8503 4.2 29.5 0.7
C02 B:RU8503 4.3 25.6 0.7
C44 B:RU8503 4.3 27.5 0.7
C21 B:RU8503 4.3 25.3 0.7
C31 B:RU8503 4.3 28.8 0.7
C24 B:RU8503 4.4 27.2 0.7
C36 B:RU8503 4.4 29.8 0.7
C06 B:RU8503 4.4 26.7 0.7
C17 B:RU8503 4.4 25.2 0.7
C30 B:RU8503 4.8 27.5 0.7
C25 B:RU8503 4.8 27.1 0.7
C43 B:RU8503 4.8 29.5 0.7
C37 B:RU8503 4.8 28.6 0.7
C01 B:RU8503 4.9 25.1 0.7
C19 B:RU8503 4.9 24.5 0.7

Reference:

J.Spradlin, D.Lee, S.Mahadevan, M.Mahomed, L.Tang, Q.Lam, A.Colbert, O.S.Shafaat, D.Goodin, M.Kloos, M.Kato, L.E.Cheruzel. Insights Into An Efficient Light-Driven Hybrid P450 BM3 Enzyme From Crystallographic, Spectroscopic and Biochemical Studies. Biochim.Biophys.Acta V.1864 1732 2016.
ISSN: ISSN 0006-3002
PubMed: 27639964
DOI: 10.1016/J.BBAPAP.2016.09.005
Page generated: Thu Oct 10 12:59:45 2024

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