Calcium in PDB 2fgq: High Resolution X-Ray Structure of OMP32 in Complex with Malate

The structure of High Resolution X-Ray Structure of OMP32 in Complex with Malate, PDB code: 2fgq was solved by K.Zeth, H.Engelhardt, with X-Ray Crystallography technique. A brief refinement statistics is given in the table below:

Resolution Low / High (Å)	20.00 / 1.45
Space group	P 63
Cell size a, b, c (Å), α, β, γ (°)	106.210, 106.210, 93.210, 90.00, 90.00, 120.00
R / Rfree (%)	14.9 / 17.1

The binding sites of Calcium atom in the High Resolution X-Ray Structure of OMP32 in Complex with Malate (pdb code 2fgq). This binding sites where shown within 5.0 Angstroms radius around Calcium atom.
In total 3 binding sites of Calcium where determined in the High Resolution X-Ray Structure of OMP32 in Complex with Malate, PDB code: 2fgq:
Jump to Calcium binding site number: 1; 2; 3;

Calcium binding site 1 out of 3 in the High Resolution X-Ray Structure of OMP32 in Complex with Malate


Mono view


Stereo pair view

A full contact list of Calcium with other atoms in the Ca binding site number 1 of High Resolution X-Ray Structure of OMP32 in Complex with Malate within 5.0Å range: probe atom residue distance (Å) B Occ X:Ca501 b:10.5 occ:1.00 O X:GLY309 2.3 11.6 1.0 O X:LEU29 2.4 10.3 1.0 OD2 X:ASP64 2.4 11.2 1.0 O X:HOH1180 2.5 13.5 1.0 C X:GLY309 3.4 12.1 1.0 CG X:ASP64 3.4 9.6 1.0 C X:LEU29 3.6 9.4 1.0 CB X:ASP64 3.8 9.1 1.0 CA X:GLY309 3.9 11.5 1.0 N X:LEU29 4.3 10.3 1.0 O X:HOH1221 4.3 19.1 1.0 CA X:LEU29 4.4 9.5 1.0 N X:GLY30 4.5 10.6 1.0 N X:VAL310 4.5 11.9 1.0 OD1 X:ASP64 4.5 11.6 1.0 CA X:GLY30 4.6 10.1 1.0 CB X:LEU29 4.7 10.0 1.0 CG2 X:VAL310 4.7 14.3 1.0 CA X:VAL310 4.8 13.1 1.0

Calcium binding site 2 out of 3 in the High Resolution X-Ray Structure of OMP32 in Complex with Malate


Mono view


Stereo pair view

A full contact list of Calcium with other atoms in the Ca binding site number 2 of High Resolution X-Ray Structure of OMP32 in Complex with Malate within 5.0Å range: probe atom residue distance (Å) B Occ X:Ca502 b:33.5 occ:0.33 O X:PHE71 2.9 14.8 1.0 N X:PHE71 3.3 15.1 1.0 CA X:GLY70 3.6 16.9 1.0 C X:GLY70 3.6 16.7 1.0 C X:PHE71 3.8 12.6 1.0 O X:HOH1236 3.9 67.0 1.0 CA X:PHE71 4.1 12.6 1.0 O X:GLY70 4.3 22.0 1.0 O X:HOH1279 4.6 25.7 1.0 CB X:PHE71 4.6 13.0 1.0 N X:GLY70 5.0 17.1 1.0

Calcium binding site 3 out of 3 in the High Resolution X-Ray Structure of OMP32 in Complex with Malate


Mono view


Stereo pair view

A full contact list of Calcium with other atoms in the Ca binding site number 3 of High Resolution X-Ray Structure of OMP32 in Complex with Malate within 5.0Å range: probe atom residue distance (Å) B Occ X:Ca503 b:13.7 occ:1.00 OG X:SER80 3.0 15.0 1.0 OG1 X:THR78 3.1 10.7 1.0 NH2 X:ARG76 3.3 14.9 1.0 O X:HOH1353 3.5 33.3 1.0 CB X:SER80 3.6 13.3 1.0 CA X:PHE55 3.7 10.0 1.0 C X:PHE55 3.7 9.9 1.0 C X:GLY54 3.8 10.0 1.0 N X:PHE55 3.8 10.0 1.0 O X:GLY54 3.8 11.4 1.0 O X:THR78 3.9 10.6 1.0 CB X:THR78 3.9 11.4 1.0 N X:TRP56 3.9 8.9 1.0 CB X:TRP56 4.0 9.5 1.0 N X:SER80 4.0 10.8 1.0 C X:THR78 4.0 10.2 1.0 C X:VAL79 4.1 10.4 1.0 O X:PHE55 4.2 11.2 1.0 CA X:VAL79 4.2 9.9 1.0 N X:VAL79 4.3 10.0 1.0 CZ X:ARG76 4.3 13.3 1.0 CA X:GLY54 4.4 12.3 1.0 CA X:SER80 4.4 12.8 1.0 NE X:ARG76 4.5 10.4 1.0 CA X:THR78 4.6 9.6 1.0 CA X:TRP56 4.6 8.7 1.0 OE2 X:GLU87 4.7 32.0 1.0 O X:VAL79 4.7 11.0 1.0 O X:HOH1335 4.8 29.9 1.0 CG X:ARG89 4.9 13.9 1.0

U.Zachariae, T.Kluhspies, S.De, H.Engelhardt, K.Zeth. High Resolution Crystal Structures and Molecular Dynamics Studies Reveal Substrate Binding in the Porin OMP32 J.Biol.Chem. V. 281 7413 2006.
ISSN: ISSN 0021-9258
PubMed: 16434398
DOI: 10.1074/JBC.M510939200