Chlorine in PDB 3vbj: Crystal Structure of Antd, An N-Acyltransferase From Bacillus Cereus in Complex with Dtdp and 3-Hydroxybutyryl-Coa

Enzymatic activity of Crystal Structure of Antd, An N-Acyltransferase From Bacillus Cereus in Complex with Dtdp and 3-Hydroxybutyryl-Coa

All present enzymatic activity of Crystal Structure of Antd, An N-Acyltransferase From Bacillus Cereus in Complex with Dtdp and 3-Hydroxybutyryl-Coa:
2.3.1.18;

Protein crystallography data

The structure of Crystal Structure of Antd, An N-Acyltransferase From Bacillus Cereus in Complex with Dtdp and 3-Hydroxybutyryl-Coa, PDB code: 3vbj was solved by R.L.Kubiak, H.M.Holden, with X-Ray Crystallography technique. A brief refinement statistics is given in the table below:

*Resolution Low / High (Å)*	31.72 / 1.80
*Space group*	P 4₁
*Cell size a, b, c (Å), α, β, γ (°)*	70.938, 70.938, 138.613, 90.00, 90.00, 90.00
*R / R_free (%)*	17.8 / 22.8

Chlorine Binding Sites:

The binding sites of Chlorine atom in the Crystal Structure of Antd, An N-Acyltransferase From Bacillus Cereus in Complex with Dtdp and 3-Hydroxybutyryl-Coa (pdb code 3vbj). 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 Antd, An N-Acyltransferase From Bacillus Cereus in Complex with Dtdp and 3-Hydroxybutyryl-Coa, PDB code: 3vbj:

Chlorine binding site 1 out of 1 in 3vbj

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Chlorine Binding Sites List in 3vbj

Chlorine binding site 1 out of 1 in the Crystal Structure of Antd, An N-Acyltransferase From Bacillus Cereus in Complex with Dtdp and 3-Hydroxybutyryl-Coa

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 Antd, An N-Acyltransferase From Bacillus Cereus in Complex with Dtdp and 3-Hydroxybutyryl-Coa within 5.0Å range:

probe	atom	residue	distance (Å)	B	Occ
A:Cl189 b:17.5 occ:1.00	NH1	E:ARG86	3.1	14.8	1.0
	NH1	C:ARG86	3.1	14.5	1.0
	NH1	A:ARG86	3.2	19.3	1.0
	CG	C:ARG86	3.5	22.9	1.0
	CD	C:ARG86	3.6	23.2	1.0
	CG	E:ARG86	3.6	17.8	1.0
	CG	A:ARG86	3.6	17.4	1.0
	CD	A:ARG86	3.7	19.4	1.0
	CD	E:ARG86	3.8	17.8	1.0
	CD1	A:TYR65	3.9	15.9	1.0
	CD1	C:TYR65	3.9	14.1	1.0
	CD1	E:TYR65	4.0	14.9	1.0
	CB	E:TYR65	4.1	15.7	1.0
	CB	A:TYR65	4.1	15.8	1.0
	CZ	C:ARG86	4.1	16.6	1.0
	CB	C:TYR65	4.1	13.4	1.0
	CG	A:TYR65	4.1	16.4	1.0
	CZ	E:ARG86	4.2	19.6	1.0
	CG	E:TYR65	4.2	11.0	1.0
	CG	C:TYR65	4.2	16.1	1.0
	CZ	A:ARG86	4.3	19.1	1.0
	NE	C:ARG86	4.3	13.5	1.0
	NE	E:ARG86	4.4	17.8	1.0
	NE	A:ARG86	4.5	13.5	1.0
	CE1	A:TYR65	4.6	17.5	1.0
	CE1	C:TYR65	4.6	15.2	1.0
	CE1	E:TYR65	4.7	17.0	1.0
	CB	C:ARG86	4.9	15.9	1.0

Reference:

R.L.Kubiak, H.M.Holden. Structural Studies of Antd: An N-Acyltransferase Involved in the Biosynthesis of D-Anthrose. Biochemistry V. 51 867 2012.
ISSN: ISSN 0006-2960
PubMed: 22220494
DOI: 10.1021/BI201650C

Page generated: Sun Jul 21 06:48:49 2024

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