Chlorine in PDB 1bwc: Structure of Human Glutathione Reductase Complexed with Ajoene Inhibitor and Subversive Substrate

Enzymatic activity of Structure of Human Glutathione Reductase Complexed with Ajoene Inhibitor and Subversive Substrate

All present enzymatic activity of Structure of Human Glutathione Reductase Complexed with Ajoene Inhibitor and Subversive Substrate:
1.6.4.2;

Protein crystallography data

The structure of Structure of Human Glutathione Reductase Complexed with Ajoene Inhibitor and Subversive Substrate, PDB code: 1bwc was solved by H.Gallwitz, S.Bonse, A.Martinez-Cruz, I.Schlichting, K.Schumacher, R.L.Krauth-Siegel, with X-Ray Crystallography technique. A brief refinement statistics is given in the table below:

*Resolution Low / High (Å)*	20.00 / 2.10
*Space group*	C 2 2 2₁
*Cell size a, b, c (Å), α, β, γ (°)*	64.300, 146.900, 128.800, 90.00, 90.00, 90.00
*R / R_free (%)*	18 / 23

Chlorine Binding Sites:

The binding sites of Chlorine atom in the Structure of Human Glutathione Reductase Complexed with Ajoene Inhibitor and Subversive Substrate (pdb code 1bwc). 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 Structure of Human Glutathione Reductase Complexed with Ajoene Inhibitor and Subversive Substrate, PDB code: 1bwc:

Chlorine binding site 1 out of 1 in 1bwc

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Chlorine Binding Sites List in 1bwc

Chlorine binding site 1 out of 1 in the Structure of Human Glutathione Reductase Complexed with Ajoene Inhibitor and Subversive Substrate

Mono view

Stereo pair view

A full contact list of Chlorine with other atoms in the Cl binding site number 1 of Structure of Human Glutathione Reductase Complexed with Ajoene Inhibitor and Subversive Substrate within 5.0Å range:

probe	atom	residue	distance (Å)	B	Occ
A:Cl3000 b:16.9 occ:1.00	NH2	A:ARG127	3.2	12.0	1.0
	N	A:LEU54	3.3	13.8	1.0
	NH1	A:ARG127	3.3	12.8	1.0
	CG	A:LEU54	3.7	14.8	1.0
	CZ	A:ARG127	3.7	14.6	1.0
	CA	A:LYS53	3.8	15.1	1.0
	CG	A:LYS53	3.9	13.9	1.0
	CD1	A:LEU54	4.0	11.8	1.0
	CB	A:LEU54	4.0	13.7	1.0
	C	A:LYS53	4.0	15.2	1.0
	CB	A:LYS53	4.1	14.8	1.0
	CA	A:LEU54	4.2	13.7	1.0
	CB	A:ASN111	4.2	14.2	1.0
	OE1	A:GLN115	4.5	27.4	1.0
	O	A:HIS52	4.5	19.3	1.0
	CG	A:ASN111	4.6	15.7	1.0
	O	A:ASN111	4.6	12.3	1.0
	CA	A:ASN111	4.9	12.9	1.0
	ND2	A:ASN111	4.9	14.2	1.0
	C	A:ASN111	5.0	13.1	1.0
	N	A:LYS53	5.0	16.9	1.0

Reference:

H.Gallwitz, S.Bonse, A.Martinez-Cruz, I.Schlichting, K.Schumacher, R.L.Krauth-Siegel. Ajoene Is An Inhibitor and Subversive Substrate of Human Glutathione Reductase and Trypanosoma Cruzi Trypanothione Reductase: Crystallographic, Kinetic, and Spectroscopic Studies. J.Med.Chem. V. 42 364 1999.
ISSN: ISSN 0022-2623
PubMed: 9986706
DOI: 10.1021/JM980471K

Page generated: Sat Dec 12 08:32:01 2020

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