Calcium in PDB 7o7g: Crystal Structure of the Shewanella Oneidensis MR1 Mtrc Mutant H561M

The structure of Crystal Structure of the Shewanella Oneidensis MR1 Mtrc Mutant H561M, PDB code: 7o7g was solved by M.J.Edwards, J.H.Van Wonderen, S.E.Newton-Payne, J.N.Butt, T.A.Clarke, with X-Ray Crystallography technique. A brief refinement statistics is given in the table below:

Resolution Low / High (Å)	50.06 / 1.60
Space group	P 21 21 21
Cell size a, b, c (Å), α, β, γ (°)	52.875, 89.657, 153.9, 90, 90, 90
R / Rfree (%)	17 / 20.5

The structure of Crystal Structure of the Shewanella Oneidensis MR1 Mtrc Mutant H561M also contains other interesting chemical elements:

Iron

(Fe)

10 atoms

The binding sites of Calcium atom in the Crystal Structure of the Shewanella Oneidensis MR1 Mtrc Mutant H561M (pdb code 7o7g). This binding sites where shown within 5.0 Angstroms radius around Calcium atom.
In total 4 binding sites of Calcium where determined in the Crystal Structure of the Shewanella Oneidensis MR1 Mtrc Mutant H561M, PDB code: 7o7g:
Jump to Calcium binding site number: 1; 2; 3; 4;

Calcium binding site 1 out of 4 in the Crystal Structure of the Shewanella Oneidensis MR1 Mtrc Mutant H561M


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 the Shewanella Oneidensis MR1 Mtrc Mutant H561M within 5.0Å range: probe atom residue distance (Å) B Occ A:Ca811 b:14.9 occ:1.00 O A:ILE53 2.3 15.8 1.0 O A:HOH1473 2.3 17.6 1.0 O A:HOH1450 2.3 16.9 1.0 O A:HOH1194 2.4 15.8 1.0 OD1 A:ASP52 2.4 16.2 1.0 OE2 A:GLU165 2.4 15.1 1.0 OE1 A:GLU165 2.5 16.2 1.0 CD A:GLU165 2.8 14.6 1.0 C A:ILE53 3.4 16.3 1.0 CG A:ASP52 3.4 18.2 1.0 OD2 A:ASP52 3.9 17.4 1.0 O A:HOH1231 4.1 23.5 1.0 N A:ILE53 4.1 16.7 1.0 CA A:ILE53 4.3 16.2 1.0 CG A:GLU165 4.3 14.9 1.0 N A:THR54 4.3 15.8 1.0 CA A:THR54 4.4 15.4 1.0 O A:HOH1182 4.6 20.1 1.0 CZ A:PHE167 4.6 15.6 1.0 CB A:ILE53 4.7 16.5 1.0 CB A:ASP52 4.8 16.6 1.0 O A:HOH1476 4.8 31.3 1.0 O A:HOH1032 4.8 23.5 1.0 C A:ASP52 4.8 16.6 1.0 CE1 A:PHE167 4.9 14.6 1.0 O A:HOH1611 4.9 17.5 1.0

Calcium binding site 2 out of 4 in the Crystal Structure of the Shewanella Oneidensis MR1 Mtrc Mutant H561M


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 the Shewanella Oneidensis MR1 Mtrc Mutant H561M within 5.0Å range: probe atom residue distance (Å) B Occ A:Ca812 b:15.3 occ:0.50 O A:HOH1181 2.3 16.4 1.0 OD1 A:ASN231 2.3 16.6 1.0 O A:ASN231 2.3 15.4 1.0 O A:ASN234 2.3 15.5 1.0 O A:LYS237 2.4 16.8 1.0 C A:ASN231 3.2 15.7 1.0 CG A:ASN231 3.4 16.7 1.0 C A:LYS237 3.5 20.6 1.0 CA A:ASN231 3.5 16.1 1.0 C A:ASN234 3.5 16.8 1.0 CG A:LYS237 3.7 19.8 1.0 N A:LYS237 3.7 18.7 1.0 CG A:PRO246 4.0 21.7 1.0 CB A:ASN231 4.0 15.7 1.0 CA A:LYS237 4.1 19.4 1.0 CD A:PRO246 4.2 20.7 1.0 OD1 A:ASN234 4.3 16.7 1.0 CA A:ASN234 4.3 16.6 1.0 N A:ASN234 4.3 15.7 1.0 CB A:ASN234 4.4 16.1 1.0 N A:VAL232 4.5 14.3 1.0 CB A:LYS237 4.5 19.6 1.0 N A:ALA235 4.5 18.9 1.0 ND2 A:ASN231 4.5 17.8 1.0 O A:SER284 4.5 20.0 1.0 N A:ASN236 4.6 20.2 1.0 N A:ALA238 4.6 19.1 1.0 O A:HIS230 4.8 15.2 1.0 CA A:ALA235 4.8 19.7 1.0 N A:ASN231 4.8 16.1 1.0 C A:ALA235 4.8 21.3 1.0 CG A:ASN234 4.8 16.4 1.0 CE A:LYS237 4.8 21.1 1.0 O A:ALA238 4.9 19.9 1.0 C A:ALA238 4.9 20.2 1.0 CD A:LYS237 4.9 21.0 1.0 C A:ASN236 4.9 20.8 1.0 CA A:ALA238 4.9 20.8 1.0 CA A:VAL232 5.0 15.2 1.0

Calcium binding site 3 out of 4 in the Crystal Structure of the Shewanella Oneidensis MR1 Mtrc Mutant H561M


Mono view


Stereo pair view

A full contact list of Calcium with other atoms in the Ca binding site number 3 of Crystal Structure of the Shewanella Oneidensis MR1 Mtrc Mutant H561M within 5.0Å range: probe atom residue distance (Å) B Occ A:Ca813 b:21.4 occ:1.00 O A:HOH1563 2.4 21.4 1.0 O A:HOH1363 2.4 28.4 1.0 O A:HOH1307 2.4 19.5 1.0 O A:HOH1341 2.4 21.1 1.0 OD1 A:ASP472 2.4 21.6 1.0 O A:GLN520 2.4 19.4 1.0 O A:HOH1429 2.7 33.3 1.0 OD2 A:ASP472 3.0 22.8 1.0 CG A:ASP472 3.0 20.9 1.0 C A:GLN520 3.5 20.5 1.0 O A:LEU473 4.1 19.1 1.0 CA A:GLN520 4.3 21.4 1.0 O A:HOH1601 4.4 41.1 1.0 O A:HOH1649 4.4 24.8 1.0 N A:LEU521 4.5 19.2 1.0 CB A:ASP472 4.5 20.0 1.0 CB A:GLN520 4.5 20.8 1.0 N A:THR337 4.5 22.6 1.0 O A:HOH1001 4.6 30.9 1.0 CA A:LEU521 4.6 20.0 1.0 O A:HOH1689 4.7 51.1 1.0 O A:HOH1275 4.7 29.6 1.0 O A:ILE335 4.8 22.9 1.0 N A:LEU473 4.8 17.7 1.0 CA A:GLU336 4.8 23.5 1.0 O A:THR337 4.8 23.0 1.0

Calcium binding site 4 out of 4 in the Crystal Structure of the Shewanella Oneidensis MR1 Mtrc Mutant H561M


Mono view


Stereo pair view

A full contact list of Calcium with other atoms in the Ca binding site number 4 of Crystal Structure of the Shewanella Oneidensis MR1 Mtrc Mutant H561M within 5.0Å range: probe atom residue distance (Å) B Occ A:Ca814 b:18.7 occ:0.50 O A:HOH1440 2.2 31.4 1.0 O A:GLU162 2.4 16.2 1.0 OE2 A:GLU202 2.4 26.4 1.0 O A:HOH1448 2.4 35.0 1.0 O A:ACT825 2.4 38.9 1.0 OE1 A:GLU202 2.4 28.4 1.0 O A:HOH973 2.5 28.0 1.0 CD A:GLU202 2.7 26.2 1.0 C A:ACT825 3.4 38.1 1.0 C A:GLU162 3.6 16.4 1.0 CH3 A:ACT825 3.8 39.3 1.0 O A:HOH960 4.1 24.1 1.0 N A:GLU162 4.2 17.9 1.0 CG A:GLU202 4.2 21.7 1.0 CA A:GLU162 4.4 17.5 1.0 NE2 A:HIS183 4.5 25.4 1.0 O A:HOH1265 4.5 32.2 1.0 N A:MET163 4.5 16.8 0.5 N A:MET163 4.5 15.4 0.5 CE1 A:HIS183 4.5 25.8 1.0 CA A:MET163 4.6 16.8 0.5 OXT A:ACT825 4.6 36.1 1.0 CA A:MET163 4.6 14.5 0.5 CB A:MET163 4.6 18.7 0.5 O A:HOH1107 4.6 45.8 1.0 CB A:MET163 4.8 14.5 0.5 O A:HOH1479 4.8 21.7 1.0 CB A:GLU162 4.8 18.2 1.0 CD2 A:HIS183 4.9 24.9 1.0

J.H.Van Wonderen, K.Adamczyk, X.Wu, X.Jiang, S.E.H.Piper, C.R.Hall, M.J.Edwards, T.A.Clarke, H.Zhang, L.J.C.Jeuken, I.V.Sazanovich, M.Towrie, J.Blumberger, S.R.Meech, J.N.Butt. Nanosecond Heme-to-Heme Electron Transfer Rates in A Multiheme Cytochrome Nanowire Reported By A Spectrally Unique His/Met-Ligated Heme. Proc.Natl.Acad.Sci.Usa V. 118 2021.
ISSN: ESSN 1091-6490
PubMed: 34556577
DOI: 10.1073/PNAS.2107939118