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Chlorine in PDB 4hgf: Crystal Structure of P450 BM3 5F5K Heme Domain Variant Complexed with Styrene

Enzymatic activity of Crystal Structure of P450 BM3 5F5K Heme Domain Variant Complexed with Styrene

All present enzymatic activity of Crystal Structure of P450 BM3 5F5K Heme Domain Variant Complexed with Styrene:
1.14.14.1; 1.6.2.4;

Protein crystallography data

The structure of Crystal Structure of P450 BM3 5F5K Heme Domain Variant Complexed with Styrene, PDB code: 4hgf was solved by A.Shehzad, S.Panneerselvam, M.Bocola, J.Mueller-Dieckmann, M.Wilmanns, U.Schwaneberg, with X-Ray Crystallography technique. A brief refinement statistics is given in the table below:

Resolution Low / High (Å) 19.51 / 1.70
Space group P 1 21 1
Cell size a, b, c (Å), α, β, γ (°) 59.138, 148.125, 64.066, 90.00, 98.16, 90.00
R / Rfree (%) 18.9 / 22.8

Other elements in 4hgf:

The structure of Crystal Structure of P450 BM3 5F5K Heme Domain Variant Complexed with Styrene also contains other interesting chemical elements:

Iron (Fe) 2 atoms

Chlorine Binding Sites:

The binding sites of Chlorine atom in the Crystal Structure of P450 BM3 5F5K Heme Domain Variant Complexed with Styrene (pdb code 4hgf). This binding sites where shown within 5.0 Angstroms radius around Chlorine atom.
In total only one binding site of Chlorine was determined in the Crystal Structure of P450 BM3 5F5K Heme Domain Variant Complexed with Styrene, PDB code: 4hgf:

Chlorine binding site 1 out of 1 in 4hgf

Go back to Chlorine Binding Sites List in 4hgf
Chlorine binding site 1 out of 1 in the Crystal Structure of P450 BM3 5F5K Heme Domain Variant Complexed with Styrene


Mono view


Stereo pair view

A full contact list of Chlorine with other atoms in the Cl binding site number 1 of Crystal Structure of P450 BM3 5F5K Heme Domain Variant Complexed with Styrene within 5.0Å range:
probe atom residue distance (Å) B Occ
A:Cl503

b:53.5
occ:1.00
 NH2 A:ARG375 3.5 41.1 1.0
O A:HOH943 3.7 32.6 1.0
O A:HOH703 3.8 20.2 1.0
CA A:ARG378 4.2 15.8 1.0
O A:HOH1000 4.2 31.8 1.0
CG A:ARG378 4.4 19.7 1.0
O A:HOH932 4.6 27.6 1.0
CZ A:ARG375 4.6 34.2 1.0
CB A:ARG378 4.7 16.4 1.0
N A:ARG378 4.8 14.8 1.0
NE A:ARG375 4.8 34.3 1.0
O A:HOH999 4.9 41.8 1.0
O A:ARG378 5.0 14.6 1.0
O A:GLU377 5.0 16.8 1.0

Reference:

A.Shehzad, S.Panneerselvam, M.Linow, M.Bocola, D.Roccatano, J.Mueller-Dieckmann, M.Wilmanns, U.Schwaneberg. P450 BM3 Crystal Structures Reveal the Role of the Charged Surface Residue Lys/ARG184 in Inversion of Enantioselective Styrene Epoxidation. Chem.Commun.(Camb.) V. 49 4694 2013.
ISSN: ISSN 1359-7345
PubMed: 23589805
DOI: 10.1039/C3CC39076D
Page generated: Sat Dec 12 10:42:46 2020

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