Chlorine in PDB 1iei: Crystal Structure of Human Aldose Reductase Complexed with the Inhibitor Zenarestat.

Enzymatic activity of Crystal Structure of Human Aldose Reductase Complexed with the Inhibitor Zenarestat.

All present enzymatic activity of Crystal Structure of Human Aldose Reductase Complexed with the Inhibitor Zenarestat.:
1.1.1.21;

Protein crystallography data

The structure of Crystal Structure of Human Aldose Reductase Complexed with the Inhibitor Zenarestat., PDB code: 1iei was solved by T.Kinoshita, H.Miyake, T.Fujii, S.Takakura, T.Goto, with X-Ray Crystallography technique. A brief refinement statistics is given in the table below:

*Resolution Low / High (Å)*	10.00 / 2.50
*Space group*	P 1
*Cell size a, b, c (Å), α, β, γ (°)*	40.400, 47.970, 47.660, 76.20, 76.70, 67.50
*R / R_free (%)*	17.8 / 19.9

Other elements in 1iei:

The structure of Crystal Structure of Human Aldose Reductase Complexed with the Inhibitor Zenarestat. also contains other interesting chemical elements:

Fluorine	(F)	1 atom
Bromine	(Br)	1 atom

Chlorine Binding Sites:

The binding sites of Chlorine atom in the Crystal Structure of Human Aldose Reductase Complexed with the Inhibitor Zenarestat. (pdb code 1iei). 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 Human Aldose Reductase Complexed with the Inhibitor Zenarestat., PDB code: 1iei:

Chlorine binding site 1 out of 1 in 1iei

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Chlorine Binding Sites List in 1iei

Chlorine binding site 1 out of 1 in the Crystal Structure of Human Aldose Reductase Complexed with the Inhibitor Zenarestat.

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 Human Aldose Reductase Complexed with the Inhibitor Zenarestat. within 5.0Å range:

probe	atom	residue	distance (Å)	B	Occ
A:Cl351 b:8.4 occ:1.00	CL6	A:ZES351	0.0	8.4	1.0
	C6	A:ZES351	1.7	9.8	1.0
	C5	A:ZES351	2.6	7.5	1.0
	C1	A:ZES351	2.6	14.1	1.0
	O	A:VAL47	3.2	6.5	1.0
	C	A:VAL47	3.6	7.3	1.0
	CG1	A:VAL47	3.7	2.0	1.0
	CG2	A:VAL47	3.8	2.0	1.0
	O	A:HOH491	3.9	16.1	1.0
	NE1	A:TRP20	3.9	13.7	1.0
	C2	A:ZES351	3.9	12.8	1.0
	C4	A:ZES351	3.9	10.1	1.0
	O	A:HOH363	4.0	13.0	1.0
	CB	A:VAL47	4.0	2.0	1.0
	N	A:TYR48	4.0	8.8	1.0
	CA	A:TYR48	4.1	9.2	1.0
	CD1	A:TYR48	4.1	5.8	1.0
	CD1	A:TRP20	4.3	7.4	1.0
	CA	A:VAL47	4.4	4.8	1.0
	C3	A:ZES351	4.4	12.1	1.0
	C	A:TYR48	4.8	13.5	1.0
	CE1	A:TYR48	4.8	5.1	1.0
	CE2	A:TRP20	5.0	3.8	1.0

Reference:

T.Kinoshita, H.Miyake, T.Fujii, S.Takakura, T.Goto. The Structure of Human Recombinant Aldose Reductase Complexed with the Potent Inhibitor Zenarestat. Acta Crystallogr.,Sect.D V. 58 622 2002.
ISSN: ISSN 0907-4449
PubMed: 11914486
DOI: 10.1107/S0907444902002378

Page generated: Fri Jul 19 22:43:48 2024

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