Chlorine in PDB 3vsj: Crystal Structure of 1,6-Apd (2-Animophenol-1,6-Dioxygenase) Complexed with Intermediate Products

Enzymatic activity of Crystal Structure of 1,6-Apd (2-Animophenol-1,6-Dioxygenase) Complexed with Intermediate Products

All present enzymatic activity of Crystal Structure of 1,6-Apd (2-Animophenol-1,6-Dioxygenase) Complexed with Intermediate Products:
1.13.11.8;

Protein crystallography data

The structure of Crystal Structure of 1,6-Apd (2-Animophenol-1,6-Dioxygenase) Complexed with Intermediate Products, PDB code: 3vsj was solved by D.F.Li, Y.J.Hou, Y.Hu, D.C.Wang, W.Liu, with X-Ray Crystallography technique. A brief refinement statistics is given in the table below:

*Resolution Low / High (Å)*	39.87 / 2.30
*Space group*	C 1 2 1
*Cell size a, b, c (Å), α, β, γ (°)*	270.240, 48.390, 108.550, 90.00, 109.57, 90.00
*R / R_free (%)*	19 / 23.4

Other elements in 3vsj:

The structure of Crystal Structure of 1,6-Apd (2-Animophenol-1,6-Dioxygenase) Complexed with Intermediate Products also contains other interesting chemical elements:

Iron

(Fe)

2 atoms

Chlorine Binding Sites:

The binding sites of Chlorine atom in the Crystal Structure of 1,6-Apd (2-Animophenol-1,6-Dioxygenase) Complexed with Intermediate Products (pdb code 3vsj). 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 1,6-Apd (2-Animophenol-1,6-Dioxygenase) Complexed with Intermediate Products, PDB code: 3vsj:

Chlorine binding site 1 out of 1 in 3vsj

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Chlorine Binding Sites List in 3vsj

Chlorine binding site 1 out of 1 in the Crystal Structure of 1,6-Apd (2-Animophenol-1,6-Dioxygenase) Complexed with Intermediate Products

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 1,6-Apd (2-Animophenol-1,6-Dioxygenase) Complexed with Intermediate Products within 5.0Å range:

probe	atom	residue	distance (Å)	B	Occ
A:Cl300 b:36.6 occ:1.00	OE1	A:GLN52	2.8	15.2	1.0
	O	A:HOH564	2.8	24.8	1.0
	OD1	A:ASP73	2.9	17.9	1.0
	O	A:HOH573	3.2	19.9	1.0
	O	A:HOH594	3.6	29.2	1.0
	O	A:HOH656	3.6	26.9	1.0
	CD	A:PRO13	3.6	16.2	1.0
	CD	A:GLN52	3.7	16.4	1.0
	CG	A:ASP73	3.8	19.3	1.0
	CD1	A:TRP76	3.8	17.5	1.0
	CG2	A:THR119	3.9	14.9	1.0
	NE1	A:TRP76	3.9	17.4	1.0
	CB	A:THR119	4.0	15.4	1.0
	OD2	A:ASP73	4.1	17.3	1.0
	NE2	A:GLN52	4.1	15.2	1.0
	OG1	A:THR119	4.2	16.1	1.0
	O	A:HOH644	4.2	38.9	1.0
	O	A:GLY11	4.2	15.9	1.0
	CG	A:PRO13	4.3	15.9	1.0
	CA	A:THR12	4.6	16.0	1.0
	N	A:PRO13	4.8	16.1	1.0
	C	A:GLY11	5.0	15.8	1.0

Reference:

D.F.Li, J.Y.Zhang, Y.J.Hou, L.Liu, Y.Hu, S.J.Liu, D.C.Wang, W.Liu. Structures of Aminophenol Dioxygenase in Complex with Intermediate, Product and Inhibitor Acta Crystallogr.,Sect.D V. 69 32 2013.
ISSN: ISSN 0907-4449
PubMed: 23275161
DOI: 10.1107/S0907444912042072

Page generated: Fri Jul 11 11:48:23 2025

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