Calcium in PDB 2fgr: High Resolution Xray Structure of OMP32

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

Resolution Low / High (Å)	20.00 / 1.50
Space group	P 63
Cell size a, b, c (Å), α, β, γ (°)	106.410, 106.410, 93.790, 90.00, 90.00, 120.00
R / Rfree (%)	15 / 18

The binding sites of Calcium atom in the High Resolution Xray Structure of OMP32 (pdb code 2fgr). 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 Xray Structure of OMP32, PDB code: 2fgr:
Jump to Calcium binding site number: 1; 2; 3;

Calcium binding site 1 out of 3 in the High Resolution Xray Structure of OMP32


Mono view


Stereo pair view

A full contact list of Calcium with other atoms in the Ca binding site number 1 of High Resolution Xray Structure of OMP32 within 5.0Å range: probe atom residue distance (Å) B Occ A:Ca501 b:12.0 occ:1.00 O A:GLY309 2.3 13.6 1.0 OD2 A:ASP64 2.3 12.4 1.0 O A:LEU29 2.4 11.6 1.0 O A:HOH627 2.4 15.9 1.0 CG A:ASP64 3.4 9.6 1.0 C A:GLY309 3.4 13.0 1.0 C A:LEU29 3.6 10.8 1.0 CB A:ASP64 3.8 11.3 1.0 CA A:GLY309 4.0 12.6 1.0 N A:LEU29 4.3 11.2 1.0 O A:HOH649 4.3 20.9 1.0 CA A:LEU29 4.4 10.9 1.0 OD1 A:ASP64 4.5 11.3 1.0 N A:GLY30 4.5 11.2 1.0 N A:VAL310 4.5 12.5 1.0 CA A:GLY30 4.6 11.0 1.0 O A:HOH928 4.6 55.6 1.0 CB A:LEU29 4.6 12.1 1.0 CG2 A:VAL310 4.7 14.3 1.0 CA A:VAL310 4.8 13.6 1.0

Calcium binding site 2 out of 3 in the High Resolution Xray Structure of OMP32


Mono view


Stereo pair view

A full contact list of Calcium with other atoms in the Ca binding site number 2 of High Resolution Xray Structure of OMP32 within 5.0Å range: probe atom residue distance (Å) B Occ A:Ca502 b:34.8 occ:0.33 O A:HOH893 2.8 19.8 0.3 O A:PHE71 2.9 14.7 1.0 N A:PHE71 3.2 15.8 1.0 CA A:GLY70 3.6 16.7 1.0 C A:GLY70 3.6 17.8 1.0 C A:PHE71 3.8 13.1 1.0 CA A:PHE71 4.0 13.3 1.0 O A:GLY70 4.5 23.6 1.0 CB A:PHE71 4.6 14.3 1.0 O A:HOH687 4.6 25.7 1.0

Calcium binding site 3 out of 3 in the High Resolution Xray Structure of OMP32


Mono view


Stereo pair view

A full contact list of Calcium with other atoms in the Ca binding site number 3 of High Resolution Xray Structure of OMP32 within 5.0Å range: probe atom residue distance (Å) B Occ A:Ca503 b:22.7 occ:1.00 OG1 A:THR78 3.0 12.2 1.0 OG A:SER80 3.0 18.1 1.0 O A:HOH721 3.0 32.8 1.0 NH2 A:ARG76 3.3 14.5 1.0 CB A:SER80 3.6 16.0 1.0 CA A:PHE55 3.7 10.9 1.0 C A:PHE55 3.7 10.5 1.0 O A:THR78 3.8 11.7 1.0 C A:GLY54 3.8 12.0 1.0 N A:PHE55 3.8 11.1 1.0 CB A:THR78 3.8 11.5 1.0 O A:GLY54 3.9 12.2 1.0 N A:TRP56 3.9 10.0 1.0 N A:SER80 3.9 13.9 1.0 C A:THR78 3.9 11.1 1.0 CB A:TRP56 3.9 11.2 1.0 C A:VAL79 4.1 11.4 1.0 CA A:VAL79 4.2 11.1 1.0 N A:VAL79 4.2 10.5 1.0 O A:PHE55 4.2 11.5 1.0 CZ A:ARG76 4.3 13.4 1.0 CA A:GLY54 4.4 12.0 1.0 CA A:SER80 4.4 14.3 1.0 NE A:ARG76 4.4 10.7 1.0 CA A:THR78 4.5 10.5 1.0 O A:HOH780 4.5 35.9 1.0 CA A:TRP56 4.6 10.7 1.0 O A:VAL79 4.7 12.6 1.0 OE2 A:GLU87 4.8 34.7 1.0 CG A:ARG89 4.9 18.0 1.0 CD A:ARG89 5.0 17.9 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