Calcium in PDB 5ddl: Crystal Structure of Wt Human Glutathione Transferase Pi Soaked with A Metalloid Then Back-Soaked with Glutathione

Enzymatic activity of Crystal Structure of Wt Human Glutathione Transferase Pi Soaked with A Metalloid Then Back-Soaked with Glutathione

All present enzymatic activity of Crystal Structure of Wt Human Glutathione Transferase Pi Soaked with A Metalloid Then Back-Soaked with Glutathione:
2.5.1.18;

Protein crystallography data

The structure of Crystal Structure of Wt Human Glutathione Transferase Pi Soaked with A Metalloid Then Back-Soaked with Glutathione, PDB code: 5ddl was solved by L.J.Parker, M.W.Parker, C.J.Morton, with X-Ray Crystallography technique. A brief refinement statistics is given in the table below:

*Resolution Low / High (Å)*	37.50 / 1.98
*Space group*	C 1 2 1
*Cell size a, b, c (Å), α, β, γ (°)*	77.665, 89.795, 68.854, 90.00, 98.08, 90.00
*R / R_free (%)*	13.8 / 17.8

Other elements in 5ddl:

The structure of Crystal Structure of Wt Human Glutathione Transferase Pi Soaked with A Metalloid Then Back-Soaked with Glutathione also contains other interesting chemical elements:

Arsenic

(As)

2 atoms

Calcium Binding Sites:

The binding sites of Calcium atom in the Crystal Structure of Wt Human Glutathione Transferase Pi Soaked with A Metalloid Then Back-Soaked with Glutathione (pdb code 5ddl). This binding sites where shown within 5.0 Angstroms radius around Calcium atom.
In total 2 binding sites of Calcium where determined in the Crystal Structure of Wt Human Glutathione Transferase Pi Soaked with A Metalloid Then Back-Soaked with Glutathione, PDB code: 5ddl:
Jump to Calcium binding site number: 1; 2;

Calcium binding site 1 out of 2 in 5ddl

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Calcium Binding Sites List in 5ddl

Calcium binding site 1 out of 2 in the Crystal Structure of Wt Human Glutathione Transferase Pi Soaked with A Metalloid Then Back-Soaked with Glutathione

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 Wt Human Glutathione Transferase Pi Soaked with A Metalloid Then Back-Soaked with Glutathione within 5.0Å range:

probe	atom	residue	distance (Å)	B	Occ
B:Ca305 b:30.2 occ:1.00	O	B:HOH485	2.3	16.3	1.0
	O	B:HOH554	2.3	27.4	1.0
	O	B:GLY77	2.4	10.4	1.0
	O	B:HOH524	2.5	19.3	1.0
	OE1	B:GLN147	2.5	28.2	1.0
	O	B:HOH536	2.7	17.7	1.0
	HD23	B:LEU78	3.5	10.6	1.0
	C	B:GLY77	3.6	12.7	1.0
	HB3	B:GLN147	3.6	16.0	1.0
	CD	B:GLN147	3.7	38.1	1.0
	HA	B:LEU78	3.9	8.3	1.0
	HA3	B:GLY77	4.0	15.5	1.0
	CB	B:GLN147	4.3	13.4	1.0
	HB2	B:GLN147	4.3	16.0	1.0
	CA	B:GLY77	4.4	12.9	1.0
	CD2	B:LEU78	4.4	8.8	1.0
	O	B:HOH553	4.5	29.1	1.0
	N	B:LEU78	4.5	7.3	1.0
	HD22	B:LEU78	4.6	10.6	1.0
	O	B:HOH503	4.6	23.7	1.0
	HE22	B:GLN147	4.6	41.8	1.0
	CG	B:GLN147	4.6	22.4	1.0
	O	B:HOH495	4.6	11.0	1.0
	O	B:HOH550	4.7	27.0	1.0
	CA	B:LEU78	4.7	7.0	1.0
	NE2	B:GLN147	4.7	34.8	1.0
	HD21	B:LEU78	4.7	10.6	1.0
	O	B:ILE148	4.7	9.1	1.0
	O	B:HOH451	4.8	10.1	1.0
	O	B:LEU76	4.8	13.6	1.0
	HA2	B:GLY77	4.9	15.5	1.0
	HG2	B:GLN147	5.0	26.8	1.0

Calcium binding site 2 out of 2 in 5ddl

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Calcium Binding Sites List in 5ddl

Calcium binding site 2 out of 2 in the Crystal Structure of Wt Human Glutathione Transferase Pi Soaked with A Metalloid Then Back-Soaked with Glutathione

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 Wt Human Glutathione Transferase Pi Soaked with A Metalloid Then Back-Soaked with Glutathione within 5.0Å range:

probe	atom	residue	distance (Å)	B	Occ
B:Ca306 b:39.2 occ:1.00	O	B:HOH539	2.3	31.0	1.0
	O	B:HOH407	2.5	36.8	1.0
	O	B:GLU30	2.5	16.7	1.0
	HA	B:GLU31	3.5	24.1	1.0
	C	B:GLU30	3.8	26.0	1.0
	H	B:VAL32	4.1	22.4	1.0
	OE1	B:GLU31	4.2	32.2	1.0
	CA	B:GLU31	4.3	20.0	1.0
	HB2	B:GLU30	4.4	20.1	1.0
	N	B:GLU31	4.5	17.3	1.0
	HG23	B:VAL32	4.5	38.1	1.0
	CD	B:GLU31	4.5	40.6	1.0
	H	B:GLU30	4.6	17.6	1.0
	CA	B:GLU30	4.8	13.7	1.0
	N	B:VAL32	4.8	18.7	1.0
	N	B:GLU30	4.9	14.7	1.0
	OE2	B:GLU31	4.9	47.5	1.0
	HG2	B:GLU31	4.9	41.0	1.0

Reference:

L.J.Parker, M.W.Parker, C.J.Morton, A.Bocedi, D.B.Ascher, J.B.Aitken, H.H.Harris, M.Lo Bello, G.Ricci. Visualisation of Organoarsenic Human Glutathione Transferase P1-1 Complexes: Metabolism of Arsenic-Based Therapeutics To Be Published.

Page generated: Wed Jul 9 05:07:30 2025

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