Chlorine in PDB 4h1n: Crystal Structure of P450 2B4 F297A Mutant in Complex with Anti- Platelet Drug Clopidogrel

Enzymatic activity of Crystal Structure of P450 2B4 F297A Mutant in Complex with Anti- Platelet Drug Clopidogrel

All present enzymatic activity of Crystal Structure of P450 2B4 F297A Mutant in Complex with Anti- Platelet Drug Clopidogrel:
1.14.14.1;

Protein crystallography data

The structure of Crystal Structure of P450 2B4 F297A Mutant in Complex with Anti- Platelet Drug Clopidogrel, PDB code: 4h1n was solved by M.B.Shah, H.H.Jang, C.D.Stout, J.R.Halpert, with X-Ray Crystallography technique. A brief refinement statistics is given in the table below:

*Resolution Low / High (Å)*	20.00 / 2.99
*Space group*	P 3₁ 2 1
*Cell size a, b, c (Å), α, β, γ (°)*	91.385, 91.385, 152.286, 90.00, 90.00, 120.00
*R / R_free (%)*	23.3 / 28.6

Other elements in 4h1n:

The structure of Crystal Structure of P450 2B4 F297A Mutant in Complex with Anti- Platelet Drug Clopidogrel also contains other interesting chemical elements:

Iron

(Fe)

1 atom

Chlorine Binding Sites:

The binding sites of Chlorine atom in the Crystal Structure of P450 2B4 F297A Mutant in Complex with Anti- Platelet Drug Clopidogrel (pdb code 4h1n). 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 2B4 F297A Mutant in Complex with Anti- Platelet Drug Clopidogrel, PDB code: 4h1n:

Chlorine binding site 1 out of 1 in 4h1n

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Chlorine Binding Sites List in 4h1n

Chlorine binding site 1 out of 1 in the Crystal Structure of P450 2B4 F297A Mutant in Complex with Anti- Platelet Drug Clopidogrel

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 2B4 F297A Mutant in Complex with Anti- Platelet Drug Clopidogrel within 5.0Å range:

probe	atom	residue	distance (Å)	B	Occ
A:Cl505 b:0.4 occ:1.00	CL1	A:CGE505	0.0	0.4	1.0
	CAP	A:CGE505	1.7	0.2	1.0
	CAG	A:CGE505	2.7	0.5	1.0
	CAS	A:CGE505	2.7	0.2	1.0
	CA	A:CGE505	3.0	0.3	1.0
	CE1	A:PHE206	3.7	78.8	1.0
	C	A:CGE505	3.7	0.3	1.0
	CG2	A:THR302	3.8	67.3	1.0
	CD1	A:ILE363	4.0	66.6	1.0
	O	A:CGE505	4.0	0.2	1.0
	CAH	A:CGE505	4.0	0.3	1.0
	CAD	A:CGE505	4.0	0.1	1.0
	CAL	A:CGE505	4.0	0.5	1.0
	N	A:CGE505	4.1	0.3	1.0
	CG1	A:ILE363	4.4	67.6	1.0
	CZ	A:PHE206	4.4	78.5	1.0
	CAE	A:CGE505	4.5	0.2	1.0
	OG1	A:THR302	4.5	68.2	1.0
	CD1	A:PHE206	4.7	79.3	1.0
	OAM	A:CGE505	4.7	0.5	1.0
	CB	A:THR302	4.8	67.6	1.0
	CG	A:GLU301	4.9	70.8	1.0
	O	A:ALA297	4.9	69.5	1.0

Reference:

M.B.Shah, H.H.Jang, Q.Zhang, C.David Stout, J.R.Halpert. X-Ray Crystal Structure of the Cytochrome P450 2B4 Active Site Mutant F297A in Complex with Clopidogrel: Insights Into Compensatory Rearrangements of the Binding Pocket. Arch.Biochem.Biophys. V. 530 64 2013.
ISSN: ISSN 0003-9861
PubMed: 23296089
DOI: 10.1016/J.ABB.2012.12.016

Page generated: Sun Jul 21 15:13:16 2024

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