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Chlorine in PDB 5e78: Crystal Structure of P450 BM3 Heme Domain Variant Complexed with Co(III)Sep

Enzymatic activity of Crystal Structure of P450 BM3 Heme Domain Variant Complexed with Co(III)Sep

All present enzymatic activity of Crystal Structure of P450 BM3 Heme Domain Variant Complexed with Co(III)Sep:
1.14.14.1; 1.6.2.4;

Protein crystallography data

The structure of Crystal Structure of P450 BM3 Heme Domain Variant Complexed with Co(III)Sep, PDB code: 5e78 was solved by S.Panneerselvm, A.Shehzad, M.Bocola, J.Mueller-Dieckmann, U.Schwaneberg, with X-Ray Crystallography technique. A brief refinement statistics is given in the table below:

Resolution Low / High (Å) 20.00 / 2.00
Space group P 21 21 21
Cell size a, b, c (Å), α, β, γ (°) 58.970, 128.540, 150.060, 90.00, 90.00, 90.00
R / Rfree (%) 17.5 / 21.2

Other elements in 5e78:

The structure of Crystal Structure of P450 BM3 Heme Domain Variant Complexed with Co(III)Sep also contains other interesting chemical elements:

Cobalt (Co) 1 atom
Iron (Fe) 2 atoms

Chlorine Binding Sites:

The binding sites of Chlorine atom in the Crystal Structure of P450 BM3 Heme Domain Variant Complexed with Co(III)Sep (pdb code 5e78). 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 Heme Domain Variant Complexed with Co(III)Sep, PDB code: 5e78:

Chlorine binding site 1 out of 1 in 5e78

Go back to Chlorine Binding Sites List in 5e78
Chlorine binding site 1 out of 1 in the Crystal Structure of P450 BM3 Heme Domain Variant Complexed with Co(III)Sep


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 Heme Domain Variant Complexed with Co(III)Sep within 5.0Å range:
probe atom residue distance (Å) B Occ
B:Cl504

b:41.2
occ:1.00
 N B:ASP194 3.3 51.0 1.0
O B:HOH973 3.3 40.2 1.0
C B:ASN192 3.4 50.2 1.0
CA B:ASN192 3.4 53.7 1.0
N3 B:5KK503 3.5 59.1 1.0
N B:PRO193 3.5 54.3 1.0
CD B:PRO193 3.7 57.4 1.0
CB B:ASN192 3.8 59.3 1.0
CB B:ASP194 3.9 58.6 1.0
O B:ASN192 3.9 47.1 1.0
CA B:ASP194 4.0 53.6 1.0
C3 B:5KK503 4.1 46.5 1.0
N B:ASP195 4.1 57.6 1.0
C B:ASP194 4.2 55.4 1.0
ND2 B:ASN192 4.3 60.9 1.0
C B:PRO193 4.4 62.1 1.0
CG B:PRO193 4.4 55.4 1.0
CA B:PRO193 4.5 54.4 1.0
C1 B:5KK503 4.5 43.8 1.0
N7 B:5KK503 4.5 39.4 1.0
C6 B:5KK503 4.6 56.1 1.0
CG B:ASN192 4.6 64.8 1.0
OD2 B:ASP194 4.6 58.6 1.0
CG B:ASP194 4.7 61.0 1.0
O B:ALA191 4.8 48.2 1.0
N B:ASN192 4.8 51.5 1.0

Reference:

S.Panneerselvam, A.Shehzad, J.Mueller-Dieckmann, M.Wilmanns, M.Bocola, M.D.Davari, U.Schwaneberg. Crystallographic Insights Into A Cobalt (III) Sepulchrate Based Alternative Cofactor System of P450 BM3 Monooxygenase. Biochim. Biophys. Acta V.1866 134 2018.
ISSN: ISSN 0006-3002
PubMed: 28739446
DOI: 10.1016/J.BBAPAP.2017.07.010
Page generated: Sat Dec 12 11:40:29 2020

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