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Calcium in PDB 4oj4: Crystal Structure of V290M Ppargamma Mutant in Complex with Diclofenac

Protein crystallography data

The structure of Crystal Structure of V290M Ppargamma Mutant in Complex with Diclofenac, PDB code: 4oj4 was solved by A.C.Puhl, P.Webb, I.Polikarpov, with X-Ray Crystallography technique. A brief refinement statistics is given in the table below:

Resolution Low / High (Å) 48.19 / 2.30
Space group P 43 21 2
Cell size a, b, c (Å), α, β, γ (°) 60.040, 60.040, 161.190, 90.00, 90.00, 90.00
R / Rfree (%) 21.9 / 28.4

Other elements in 4oj4:

The structure of Crystal Structure of V290M Ppargamma Mutant in Complex with Diclofenac also contains other interesting chemical elements:

Chlorine (Cl) 2 atoms

Calcium Binding Sites:

The binding sites of Calcium atom in the Crystal Structure of V290M Ppargamma Mutant in Complex with Diclofenac (pdb code 4oj4). 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 V290M Ppargamma Mutant in Complex with Diclofenac, PDB code: 4oj4:
Jump to Calcium binding site number: 1; 2;

Calcium binding site 1 out of 2 in 4oj4

Go back to Calcium Binding Sites List in 4oj4
Calcium binding site 1 out of 2 in the Crystal Structure of V290M Ppargamma Mutant in Complex with Diclofenac


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 V290M Ppargamma Mutant in Complex with Diclofenac within 5.0Å range:
probe atom residue distance (Å) B Occ
A:Ca502

b:57.5
occ:1.00
O A:HOH629 2.2 53.2 1.0
O A:HOH651 2.3 42.8 1.0
O A:HOH617 2.3 44.0 1.0
O A:HOH624 2.3 52.3 1.0
O A:ASN424 2.7 37.1 1.0
C A:ASN424 3.8 36.9 1.0
ND1 A:HIS425 4.3 39.5 1.0
OE2 A:GLU427 4.4 56.5 1.0
CE1 A:HIS425 4.5 38.1 1.0
CA A:HIS425 4.5 40.2 1.0
N A:HIS425 4.6 38.7 1.0
CG A:HIS425 4.7 35.7 1.0
OE1 A:GLU427 4.8 57.7 1.0
CA A:ASN424 4.9 39.6 1.0
OD1 A:ASN424 4.9 66.5 1.0

Calcium binding site 2 out of 2 in 4oj4

Go back to Calcium Binding Sites List in 4oj4
Calcium binding site 2 out of 2 in the Crystal Structure of V290M Ppargamma Mutant in Complex with Diclofenac


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 V290M Ppargamma Mutant in Complex with Diclofenac within 5.0Å range:
probe atom residue distance (Å) B Occ
A:Ca503

b:67.9
occ:1.00
OD1 A:ASP260 2.4 73.0 1.0
O A:HOH639 2.9 47.4 1.0
CG A:ASP260 3.3 78.7 1.0
OD2 A:ASP260 3.5 85.5 1.0
OE1 A:GLU259 4.3 70.3 1.0
CB A:ASP260 4.6 76.7 1.0
CG A:GLU259 4.7 64.0 1.0
O A:MET256 4.7 46.8 1.0
CA A:ASP260 5.0 73.4 1.0
CD A:GLU259 5.0 65.0 1.0

Reference:

A.C.Puhl, A.Bernardes, I.Polikarpov, P.Webb. Crystal Structure of A Ppar Ligand-Resistance Syndrome Mutant To Be Published.
Page generated: Sat Dec 12 05:02:13 2020

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