Calcium in PDB 1rro: Refinement of Recombinant Oncomodulin at 1.30 Angstroms Resolution

The structure of Refinement of Recombinant Oncomodulin at 1.30 Angstroms Resolution, PDB code: 1rro was solved by F.R.Ahmed, D.R.Rose, S.V.Evans, M.E.Pippy, R.To, with X-Ray Crystallography technique. A brief refinement statistics is given in the table below:

Resolution Low / High (Å)	10.00 / 1.30
Space group	P 21 21 21
Cell size a, b, c (Å), α, β, γ (°)	39.700, 65.120, 32.940, 90.00, 90.00, 90.00
R / Rfree (%)	n/a / n/a

The binding sites of Calcium atom in the Refinement of Recombinant Oncomodulin at 1.30 Angstroms Resolution (pdb code 1rro). This binding sites where shown within 5.0 Angstroms radius around Calcium atom.
In total 4 binding sites of Calcium where determined in the Refinement of Recombinant Oncomodulin at 1.30 Angstroms Resolution, PDB code: 1rro:
Jump to Calcium binding site number: 1; 2; 3; 4;

Calcium binding site 1 out of 4 in the Refinement of Recombinant Oncomodulin at 1.30 Angstroms Resolution


Mono view


Stereo pair view

A full contact list of Calcium with other atoms in the Ca binding site number 1 of Refinement of Recombinant Oncomodulin at 1.30 Angstroms Resolution within 5.0Å range: probe atom residue distance (Å) B Occ A:Ca109 b:5.8 occ:1.00 OD1 A:ASP92 2.3 8.8 1.0 OD1 A:ASP90 2.3 7.8 1.0 O A:LYS96 2.4 7.3 1.0 OD1 A:ASP94 2.4 6.5 1.0 O A:HOH111 2.4 10.8 1.0 OE1 A:GLU101 2.5 7.5 1.0 OE2 A:GLU101 2.5 7.1 1.0 CD A:GLU101 2.9 6.2 1.0 CG A:ASP94 3.3 6.3 1.0 CG A:ASP92 3.3 10.8 1.0 CG A:ASP90 3.4 9.0 1.0 C A:LYS96 3.6 7.4 1.0 OD2 A:ASP94 3.7 8.8 1.0 OD2 A:ASP92 3.7 14.3 1.0 N A:LYS96 4.2 6.6 1.0 OD2 A:ASP90 4.2 13.9 1.0 N A:ASP92 4.3 6.5 1.0 CG A:GLU101 4.3 6.8 1.0 CA A:ASP90 4.4 6.3 1.0 O A:HOH144 4.4 22.0 1.0 CB A:ASP90 4.4 8.2 1.0 N A:ASN91 4.5 6.4 1.0 N A:ASP94 4.5 6.1 1.0 N A:ILE97 4.5 5.8 1.0 CA A:LYS96 4.5 5.7 1.0 N A:GLY98 4.5 5.0 1.0 CA A:ILE97 4.5 5.4 1.0 CB A:ASP94 4.6 7.5 1.0 CB A:ASP92 4.6 7.2 1.0 CG A:LYS96 4.7 10.3 1.0 CA A:ASP92 4.8 8.0 1.0 N A:GLY95 4.8 7.2 1.0 CA A:ASP94 4.8 6.1 1.0 C A:ASP92 4.9 7.2 1.0 N A:GLY93 4.9 6.7 1.0 C A:ASP94 4.9 6.2 1.0 C A:ASP90 5.0 8.6 1.0 C A:ILE97 5.0 5.0 1.0

Calcium binding site 2 out of 4 in the Refinement of Recombinant Oncomodulin at 1.30 Angstroms Resolution


Mono view


Stereo pair view

A full contact list of Calcium with other atoms in the Ca binding site number 2 of Refinement of Recombinant Oncomodulin at 1.30 Angstroms Resolution within 5.0Å range: probe atom residue distance (Å) B Occ A:Ca110 b:6.1 occ:1.00 O A:TYR57 2.3 8.6 1.0 OD1 A:ASP53 2.3 7.1 1.0 OD1 A:ASP51 2.3 7.4 1.0 O A:HOH112 2.3 15.0 1.0 OE1 A:GLU62 2.5 9.5 1.0 OE2 A:GLU62 2.5 7.6 1.0 OG A:SER55 2.6 5.9 1.0 CD A:GLU62 2.8 6.1 1.0 CG A:ASP53 3.3 9.7 1.0 CG A:ASP51 3.5 7.1 1.0 C A:TYR57 3.6 7.5 1.0 OD2 A:ASP53 3.7 12.3 1.0 CB A:SER55 3.7 6.8 1.0 N A:SER55 4.0 6.1 1.0 O A:HOH113 4.0 21.7 1.0 OD2 A:ASP51 4.2 7.7 1.0 CG A:GLU62 4.3 7.4 1.0 N A:ASP53 4.3 6.7 1.0 CA A:ASP51 4.3 6.2 1.0 N A:TYR57 4.3 4.9 1.0 CA A:LEU58 4.4 7.1 1.0 CA A:SER55 4.4 4.7 1.0 O A:HOH203 4.4 19.7 1.0 N A:LEU58 4.4 6.0 1.0 CB A:ASP51 4.5 6.8 1.0 CA A:TYR57 4.5 5.0 1.0 C A:ASP51 4.5 6.6 1.0 CB A:ASP53 4.5 8.2 1.0 N A:ASP59 4.5 10.9 1.0 OD1 A:ASP59 4.6 25.0 1.0 N A:GLN54 4.6 7.1 1.0 CA A:ASP53 4.7 8.1 1.0 O A:HOH171 4.7 33.4 1.0 N A:ASN52 4.7 7.6 1.0 N A:GLY56 4.8 5.6 1.0 C A:ASP53 4.8 8.7 1.0 C A:LEU58 4.9 8.9 1.0 C A:SER55 4.9 6.5 1.0 O A:ASP51 5.0 7.3 1.0 CG A:ASP59 5.0 21.1 1.0

Calcium binding site 3 out of 4 in the Refinement of Recombinant Oncomodulin at 1.30 Angstroms Resolution


Mono view


Stereo pair view

A full contact list of Calcium with other atoms in the Ca binding site number 3 of Refinement of Recombinant Oncomodulin at 1.30 Angstroms Resolution within 5.0Å range: probe atom residue distance (Å) B Occ A:Ca124 b:15.9 occ:1.00 O A:HOH174 2.2 32.0 1.0 O A:LYS37 2.4 12.9 1.0 O A:HOH125 2.4 21.1 1.0 C A:LYS37 3.4 11.4 1.0 CA A:LYS37 4.2 13.4 1.0 N A:MET38 4.4 9.9 1.0 CB A:LYS37 4.5 15.5 1.0 C A:MET38 4.6 7.8 1.0 CA A:MET38 4.7 9.3 1.0 O A:MET38 4.8 9.3 1.0 N A:SER39 4.8 7.5 1.0

Calcium binding site 4 out of 4 in the Refinement of Recombinant Oncomodulin at 1.30 Angstroms Resolution


Mono view


Stereo pair view

A full contact list of Calcium with other atoms in the Ca binding site number 4 of Refinement of Recombinant Oncomodulin at 1.30 Angstroms Resolution within 5.0Å range: probe atom residue distance (Å) B Occ A:Ca135 b:6.4 occ:1.00 OE1 A:GLN71 2.4 8.2 1.0 O A:HOH129 2.4 10.3 1.0 OD2 A:ASP73 2.5 7.4 1.0 OD1 A:ASP73 2.5 6.8 1.0 O A:HOH127 2.5 8.1 1.0 CG A:ASP73 2.9 6.2 1.0 CD A:GLN71 3.4 9.5 1.0 O A:HOH114 3.7 15.2 1.0 NE2 A:GLN71 4.3 10.6 1.0 CB A:ASP73 4.4 5.4 1.0 CG A:GLN71 4.4 9.9 1.0 CB A:GLN71 4.5 9.1 1.0

F.R.Ahmed, D.R.Rose, S.V.Evans, M.E.Pippy, R.To. Refinement of Recombinant Oncomodulin at 1.30 A Resolution. J.Mol.Biol. V. 230 1216 1993.
ISSN: ISSN 0022-2836
PubMed: 8487302
DOI: 10.1006/JMBI.1993.1237