Bromine in PDB 5vcg: Crystal Structure of the Cysteine Depleted CYP3A4 Bound to Bromoergocryptine

Enzymatic activity of Crystal Structure of the Cysteine Depleted CYP3A4 Bound to Bromoergocryptine

All present enzymatic activity of Crystal Structure of the Cysteine Depleted CYP3A4 Bound to Bromoergocryptine:
1.14.13.157; 1.14.13.32; 1.14.13.67; 1.14.13.9;

Protein crystallography data

The structure of Crystal Structure of the Cysteine Depleted CYP3A4 Bound to Bromoergocryptine, PDB code: 5vcg was solved by I.Sevrioukova, with X-Ray Crystallography technique. A brief refinement statistics is given in the table below:

*Resolution Low / High (Å)*	80.31 / 2.20
*Space group*	I 2 2 2
*Cell size a, b, c (Å), α, β, γ (°)*	76.539, 100.459, 133.679, 90.00, 90.00, 90.00
*R / R_free (%)*	23.5 / 27.2

Other elements in 5vcg:

The structure of Crystal Structure of the Cysteine Depleted CYP3A4 Bound to Bromoergocryptine also contains other interesting chemical elements:

Iron

(Fe)

1 atom

Bromine Binding Sites:

The binding sites of Bromine atom in the Crystal Structure of the Cysteine Depleted CYP3A4 Bound to Bromoergocryptine (pdb code 5vcg). This binding sites where shown within 5.0 Angstroms radius around Bromine atom.
In total only one binding site of Bromine was determined in the Crystal Structure of the Cysteine Depleted CYP3A4 Bound to Bromoergocryptine, PDB code: 5vcg:

Bromine binding site 1 out of 1 in 5vcg

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Bromine Binding Sites List in 5vcg

Bromine binding site 1 out of 1 in the Crystal Structure of the Cysteine Depleted CYP3A4 Bound to Bromoergocryptine

Mono view

Stereo pair view

A full contact list of Bromine with other atoms in the Br binding site number 1 of Crystal Structure of the Cysteine Depleted CYP3A4 Bound to Bromoergocryptine within 5.0Å range:

probe	atom	residue	distance (Å)	B	Occ
A:Br602 b:1.0 occ:1.00	BR	A:08Y602	0.0	1.0	1.0
	C29	A:08Y602	2.0	0.2	1.0
	C25	A:08Y602	3.0	0.1	1.0
	N5	A:08Y602	3.0	0.9	1.0
	C23	A:08Y602	3.6	0.7	1.0
	OD2	A:ASP76	3.8	41.3	1.0
	CG	A:ASP76	3.9	43.7	1.0
	CE1	A:TYR53	4.1	58.0	1.0
	C26	A:08Y602	4.1	0.8	1.0
	CZ	A:PHE57	4.1	65.5	1.0
	OD1	A:ASP76	4.1	41.7	1.0
	C28	A:08Y602	4.2	0.6	1.0
	CE2	A:PHE57	4.2	66.6	1.0
	OG1	A:THR224	4.3	54.9	1.0
	OH	A:TYR53	4.4	59.5	1.0
	CZ	A:TYR53	4.4	58.8	1.0
	O	A:PHE215	4.4	71.2	1.0
	CB	A:ASP76	4.5	40.2	1.0
	NH1	A:ARG106	4.7	46.8	1.0
	CG2	A:THR224	4.8	56.3	1.0
	CD1	A:TYR53	4.8	56.0	1.0
	CD2	A:LEU216	4.9	66.3	1.0
	CB	A:PHE215	5.0	72.7	1.0

Reference:

I.F.Sevrioukova, I.Sevrioukova. N/A N/A.
ISSN: ISSN 1520-4995
PubMed: 28590129
DOI: 10.1021/ACS.BIOCHEM.7B00334

Page generated: Mon Jul 7 09:21:30 2025

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