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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 / Rfree (%) 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

Go back to 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

Go back to 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: Sun Jul 14 17:59:32 2024

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