Calcium in PDB 3csi: Crystal Structure of the Glutathione Transferase Pi Allelic Variant*C, I104V/A113V, in Complex with the Chlorambucil-Glutathione Conjugate

Enzymatic activity of Crystal Structure of the Glutathione Transferase Pi Allelic Variant*C, I104V/A113V, in Complex with the Chlorambucil-Glutathione Conjugate

All present enzymatic activity of Crystal Structure of the Glutathione Transferase Pi Allelic Variant*C, I104V/A113V, in Complex with the Chlorambucil-Glutathione Conjugate:
2.5.1.18;

Protein crystallography data

The structure of Crystal Structure of the Glutathione Transferase Pi Allelic Variant*C, I104V/A113V, in Complex with the Chlorambucil-Glutathione Conjugate, PDB code: 3csi was solved by L.J.Parker, with X-Ray Crystallography technique. A brief refinement statistics is given in the table below:

*Resolution Low / High (Å)*	25.98 / 1.90
*Space group*	P 1 2₁ 1
*Cell size a, b, c (Å), α, β, γ (°)*	68.800, 89.160, 74.500, 90.00, 96.99, 90.00
*R / R_free (%)*	16.6 / 22.2

Other elements in 3csi:

The structure of Crystal Structure of the Glutathione Transferase Pi Allelic Variant*C, I104V/A113V, in Complex with the Chlorambucil-Glutathione Conjugate also contains other interesting chemical elements:

Chlorine

(Cl)

8 atoms

Calcium Binding Sites:

The binding sites of Calcium atom in the Crystal Structure of the Glutathione Transferase Pi Allelic Variant*C, I104V/A113V, in Complex with the Chlorambucil-Glutathione Conjugate (pdb code 3csi). This binding sites where shown within 5.0 Angstroms radius around Calcium atom.
In total 3 binding sites of Calcium where determined in the Crystal Structure of the Glutathione Transferase Pi Allelic Variant*C, I104V/A113V, in Complex with the Chlorambucil-Glutathione Conjugate, PDB code: 3csi:
Jump to Calcium binding site number: 1; 2; 3;

Calcium binding site 1 out of 3 in 3csi

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Calcium Binding Sites List in 3csi

Calcium binding site 1 out of 3 in the Crystal Structure of the Glutathione Transferase Pi Allelic Variant*C, I104V/A113V, in Complex with the Chlorambucil-Glutathione Conjugate

Mono view

Stereo pair view

A full contact list of Calcium with other atoms in the Ca binding site number 1 of Crystal Structure of the Glutathione Transferase Pi Allelic Variant*C, I104V/A113V, in Complex with the Chlorambucil-Glutathione Conjugate within 5.0Å range:

probe	atom	residue	distance (Å)	B	Occ
B:Ca211 b:25.2 occ:0.80	O	B:HOH260	2.3	12.3	1.0
	O	B:GLY77	2.4	12.5	1.0
	OE1	B:GLN147	2.4	29.7	1.0
	O	B:HOH319	2.5	25.4	1.0
	O	B:HOH303	2.6	24.6	1.0
	O	B:HOH326	2.8	26.8	1.0
	O	B:HOH299	2.8	14.6	1.0
	C	B:GLY77	3.6	13.3	1.0
	CD	B:GLN147	3.6	25.7	1.0
	CB	B:GLN147	4.1	17.4	1.0
	CD2	B:LEU78	4.3	15.0	1.0
	CA	B:GLY77	4.4	13.7	1.0
	CG	B:GLN147	4.5	21.7	1.0
	O	B:HOH269	4.5	13.6	1.0
	O	B:HOH306	4.5	29.4	1.0
	N	B:LEU78	4.6	12.6	1.0
	O	B:ILE148	4.6	12.3	1.0
	NE2	B:GLN147	4.6	28.4	1.0
	O	B:HOH247	4.7	17.8	1.0
	CA	B:LEU78	4.7	11.9	1.0
	O	B:HOH352	4.7	30.6	1.0
	O	B:HOH435	4.8	36.4	1.0
	O	B:LEU76	4.9	15.4	1.0

Calcium binding site 2 out of 3 in 3csi

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Calcium Binding Sites List in 3csi

Calcium binding site 2 out of 3 in the Crystal Structure of the Glutathione Transferase Pi Allelic Variant*C, I104V/A113V, in Complex with the Chlorambucil-Glutathione Conjugate

Mono view

Stereo pair view

A full contact list of Calcium with other atoms in the Ca binding site number 2 of Crystal Structure of the Glutathione Transferase Pi Allelic Variant*C, I104V/A113V, in Complex with the Chlorambucil-Glutathione Conjugate within 5.0Å range:

probe	atom	residue	distance (Å)	B	Occ
D:Ca210 b:22.8 occ:1.00	O	D:HOH478	2.3	14.1	1.0
	O	D:HOH513	2.4	18.4	1.0
	OE1	D:GLN147	2.4	22.9	1.0
	O	D:GLY77	2.5	13.1	1.0
	O	D:HOH500	2.5	20.2	1.0
	O	D:HOH504	2.6	15.3	1.0
	O	D:HOH491	3.4	26.9	1.0
	CD	D:GLN147	3.6	20.2	1.0
	C	D:GLY77	3.6	13.6	1.0
	CB	D:GLN147	4.1	15.2	1.0
	CA	D:GLY77	4.4	14.8	1.0
	O	D:HOH483	4.4	14.3	1.0
	CG	D:GLN147	4.4	17.0	1.0
	O	D:HOH602	4.5	24.2	1.0
	O	D:HOH558	4.5	23.6	1.0
	O	D:HOH453	4.6	12.1	1.0
	NE2	D:GLN147	4.6	22.5	1.0
	N	D:LEU78	4.7	13.2	1.0
	O	D:ILE148	4.7	12.4	1.0
	CD2	D:LEU78	4.7	11.4	1.0
	O	D:LEU76	4.8	16.6	1.0
	CA	D:LEU78	4.8	12.6	1.0

Calcium binding site 3 out of 3 in 3csi

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Calcium Binding Sites List in 3csi

Calcium binding site 3 out of 3 in the Crystal Structure of the Glutathione Transferase Pi Allelic Variant*C, I104V/A113V, in Complex with the Chlorambucil-Glutathione Conjugate

Mono view

Stereo pair view

A full contact list of Calcium with other atoms in the Ca binding site number 3 of Crystal Structure of the Glutathione Transferase Pi Allelic Variant*C, I104V/A113V, in Complex with the Chlorambucil-Glutathione Conjugate within 5.0Å range:

probe	atom	residue	distance (Å)	B	Occ
D:Ca211 b:29.9 occ:1.00	O	D:GLU30	2.4	17.6	1.0
	O	D:HOH569	2.6	20.4	1.0
	C	D:GLU30	3.6	16.9	1.0
	CA	D:GLU31	4.4	18.1	1.0
	N	D:GLU31	4.4	16.6	1.0
	OE2	D:GLU31	4.4	31.1	1.0
	CA	D:GLU30	4.6	16.0	1.0
	N	D:GLU30	4.6	16.1	1.0
	CB	D:GLU30	4.9	15.4	1.0
	N	D:VAL32	4.9	17.7	1.0
	CD	D:GLU31	4.9	31.5	1.0

Reference:

L.J.Parker, S.Ciccone, L.C.Italiano, A.Primavera, A.J.Oakley, C.J.Morton, N.C.Hancock, M.L.Bello, M.W.Parker. The Anti-Cancer Drug Chlorambucil As A Substrate For the Human Polymorphic Enzyme Glutathione Transferase P1-1: Kinetic Properties and Crystallographic Characterisation of Allelic Variants. J.Mol.Biol. V. 380 131 2008.
ISSN: ISSN 0022-2836
PubMed: 18511072
DOI: 10.1016/J.JMB.2008.04.066

Page generated: Sat Jul 13 08:45:52 2024

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