Cobalt in PDB 5yhe: The Crystal Structure of Staphylococcus Aureus Cnta in Complex with Staphylopine and Cobalt

The structure of The Crystal Structure of Staphylococcus Aureus Cnta in Complex with Staphylopine and Cobalt, PDB code: 5yhe was solved by L.Song, Q.Ji, with X-Ray Crystallography technique. A brief refinement statistics is given in the table below:

Resolution Low / High (Å)	36.78 / 2.47
Space group	P 1
Cell size a, b, c (Å), α, β, γ (°)	42.605, 76.659, 85.673, 90.68, 91.25, 104.57
R / Rfree (%)	16.1 / 23.5

The structure of The Crystal Structure of Staphylococcus Aureus Cnta in Complex with Staphylopine and Cobalt also contains other interesting chemical elements:

Chlorine

(Cl)

1 atom

The binding sites of Cobalt atom in the The Crystal Structure of Staphylococcus Aureus Cnta in Complex with Staphylopine and Cobalt (pdb code 5yhe). This binding sites where shown within 5.0 Angstroms radius around Cobalt atom.
In total 2 binding sites of Cobalt where determined in the The Crystal Structure of Staphylococcus Aureus Cnta in Complex with Staphylopine and Cobalt, PDB code: 5yhe:
Jump to Cobalt binding site number: 1; 2;

Cobalt binding site 1 out of 2 in the The Crystal Structure of Staphylococcus Aureus Cnta in Complex with Staphylopine and Cobalt


Mono view


Stereo pair view

A full contact list of Cobalt with other atoms in the Co binding site number 1 of The Crystal Structure of Staphylococcus Aureus Cnta in Complex with Staphylopine and Cobalt within 5.0Å range: probe atom residue distance (Å) B Occ A:Co605 b:32.5 occ:1.00 O A:8UX604 1.7 35.4 1.0 OAF A:8UX604 1.8 32.1 1.0 OAD A:8UX604 1.9 30.3 1.0 NAP A:8UX604 2.2 30.7 1.0 NAN A:8UX604 2.3 30.6 1.0 N A:8UX604 2.4 31.9 1.0 CAR A:8UX604 2.5 32.3 1.0 C A:8UX604 2.6 35.5 1.0 CAV A:8UX604 2.7 31.6 1.0 CAS A:8UX604 2.7 32.8 1.0 CAJ A:8UX604 2.9 30.9 1.0 CAW A:8UX604 2.9 27.5 1.0 CA A:8UX604 3.0 33.2 1.0 CAT A:8UX604 3.1 31.5 1.0 CAH A:8UX604 3.1 31.8 1.0 CAK A:8UX604 3.3 28.3 1.0 CAL A:8UX604 3.6 26.7 1.0 OAC A:8UX604 3.7 28.7 1.0 OXT A:8UX604 3.8 32.0 1.0 OAG A:8UX604 3.9 33.2 1.0 CB A:8UX604 4.1 30.1 1.0 CAI A:8UX604 4.3 31.8 1.0 NAM A:8UX604 4.3 30.1 1.0 NH2 A:ARG140 4.3 28.8 1.0 NH2 A:ARG393 4.6 33.9 1.0 CZ2 A:TRP406 4.8 30.8 1.0 SD A:MET31 4.9 30.0 1.0 CH2 A:TRP406 4.9 30.7 1.0 NH2 A:ARG225 5.0 30.5 1.0

Cobalt binding site 2 out of 2 in the The Crystal Structure of Staphylococcus Aureus Cnta in Complex with Staphylopine and Cobalt


Mono view


Stereo pair view

A full contact list of Cobalt with other atoms in the Co binding site number 2 of The Crystal Structure of Staphylococcus Aureus Cnta in Complex with Staphylopine and Cobalt within 5.0Å range: probe atom residue distance (Å) B Occ B:Co603 b:29.1 occ:1.00 OAG B:8UX602 1.8 27.3 1.0 OXT B:8UX602 1.8 33.5 1.0 OAF B:8UX602 1.9 28.1 1.0 NAP B:8UX602 2.0 28.3 1.0 NAN B:8UX602 2.2 27.6 1.0 N B:8UX602 2.5 27.0 1.0 CAS B:8UX602 2.6 30.6 1.0 CAR B:8UX602 2.7 28.7 1.0 CAW B:8UX602 2.7 29.4 1.0 C B:8UX602 2.7 29.7 1.0 CAV B:8UX602 2.8 26.2 1.0 CAJ B:8UX602 2.9 26.6 1.0 CAT B:8UX602 3.0 27.4 1.0 CAH B:8UX602 3.0 29.8 1.0 CA B:8UX602 3.0 26.5 1.0 CAL B:8UX602 3.4 24.5 1.0 CAK B:8UX602 3.4 25.0 1.0 OAD B:8UX602 3.8 28.5 1.0 OAC B:8UX602 3.9 26.5 1.0 O B:8UX602 3.9 32.0 1.0 CAI B:8UX602 4.1 29.6 1.0 NAM B:8UX602 4.1 32.3 1.0 CB B:8UX602 4.2 28.3 1.0 NH2 B:ARG140 4.3 26.2 1.0 NH2 B:ARG393 4.5 19.9 1.0 CZ2 B:TRP406 4.8 24.2 1.0 NH2 B:ARG225 4.8 30.6 1.0 SD B:MET31 4.9 27.7 1.0 CH2 B:TRP406 4.9 26.9 1.0 CE2 B:TRP406 5.0 26.2 1.0

L.Song, Y.Zhang, W.Chen, T.Gu, S.Y.Zhang, Q.Ji. Mechanistic Insights Into Staphylopine-Mediated Metal Acquisition Proc. Natl. Acad. Sci. V. 115 3942 2018U.S.A..
ISSN: ESSN 1091-6490
PubMed: 29581261
DOI: 10.1073/PNAS.1718382115