Cobalt in PDB 5nsa: Beta Domain of Human Transcobalamin Bound to Co-Beta-[2-(2,4- Difluorophenyl)Ethinyl]Cobalamin

The structure of Beta Domain of Human Transcobalamin Bound to Co-Beta-[2-(2,4- Difluorophenyl)Ethinyl]Cobalamin, PDB code: 5nsa was solved by J.S.Bloch, M.Ruetz, B.Krautler, K.P.Locher, with X-Ray Crystallography technique. A brief refinement statistics is given in the table below:

Resolution Low / High (Å)	43.85 / 1.27
Space group	P 21 21 2
Cell size a, b, c (Å), α, β, γ (°)	61.721, 62.298, 33.762, 90.00, 90.00, 90.00
R / Rfree (%)	14.4 / 17.9

The structure of Beta Domain of Human Transcobalamin Bound to Co-Beta-[2-(2,4- Difluorophenyl)Ethinyl]Cobalamin also contains other interesting chemical elements:

Fluorine	(F)	2 atoms
Calcium	(Ca)	1 atom

The binding sites of Cobalt atom in the Beta Domain of Human Transcobalamin Bound to Co-Beta-[2-(2,4- Difluorophenyl)Ethinyl]Cobalamin (pdb code 5nsa). This binding sites where shown within 5.0 Angstroms radius around Cobalt atom.
In total only one binding site of Cobalt was determined in the Beta Domain of Human Transcobalamin Bound to Co-Beta-[2-(2,4- Difluorophenyl)Ethinyl]Cobalamin, PDB code: 5nsa:

Cobalt binding site 1 out of 1 in the Beta Domain of Human Transcobalamin Bound to Co-Beta-[2-(2,4- Difluorophenyl)Ethinyl]Cobalamin


Mono view


Stereo pair view

A full contact list of Cobalt with other atoms in the Co binding site number 1 of Beta Domain of Human Transcobalamin Bound to Co-Beta-[2-(2,4- Difluorophenyl)Ethinyl]Cobalamin within 5.0Å range: probe atom residue distance (Å) B Occ A:Co501 b:13.5 occ:1.00 CO A:B12501 0.0 13.5 1.0 N21 A:B12501 1.9 13.5 1.0 N23 A:B12501 1.9 14.0 1.0 N24 A:B12501 1.9 13.9 1.0 N22 A:B12501 2.0 13.2 1.0 CAI A:8FS502 2.2 21.9 1.0 N3B A:B12501 2.3 14.7 1.0 C19 A:B12501 2.8 16.9 1.0 C4 A:B12501 2.8 14.0 1.0 C14 A:B12501 2.8 14.4 1.0 C1 A:B12501 2.9 14.5 1.0 C11 A:B12501 2.9 12.6 1.0 C16 A:B12501 2.9 13.4 1.0 C9 A:B12501 2.9 13.1 1.0 C6 A:B12501 3.0 13.4 1.0 H201 A:B12501 3.1 18.7 1.0 C2B A:B12501 3.2 15.9 1.0 CAJ A:8FS502 3.2 20.8 1.0 H2B A:B12501 3.3 19.1 1.0 C15 A:B12501 3.3 14.8 1.0 C5 A:B12501 3.3 13.0 1.0 C10 A:B12501 3.3 12.9 1.0 C9B A:B12501 3.3 15.1 1.0 C20 A:B12501 3.5 15.6 1.0 H4B A:B12501 3.5 17.2 1.0 C4B A:B12501 3.9 14.3 1.0 H261 A:B12501 3.9 20.2 1.0 H202 A:B12501 4.0 18.7 1.0 C2 A:B12501 4.1 15.9 1.0 C18 A:B12501 4.1 15.8 1.0 C3 A:B12501 4.1 16.1 1.0 C13 A:B12501 4.2 15.4 1.0 C17 A:B12501 4.2 14.4 1.0 C12 A:B12501 4.2 14.0 1.0 C8 A:B12501 4.3 11.7 1.0 C7 A:B12501 4.3 11.8 1.0 O A:HOH779 4.3 19.4 1.0 H10 A:B12501 4.4 15.5 1.0 N1B A:B12501 4.4 15.7 1.0 H203 A:B12501 4.4 18.7 1.0 H543 A:B12501 4.4 19.4 1.0 H371 A:B12501 4.4 14.0 1.0 H18 A:B12501 4.4 19.0 1.0 H463 A:B12501 4.4 17.2 1.0 C8B A:B12501 4.5 15.0 1.0 C26 A:B12501 4.6 16.8 1.0 CAG A:8FS502 4.6 19.6 1.0 C35 A:B12501 4.8 14.3 1.0 O A:HOH731 4.8 16.4 1.0 C53 A:B12501 4.8 15.5 1.0 H3 A:B12501 4.8 19.3 1.0 C54 A:B12501 4.8 16.1 1.0 HOR7 A:B12501 4.8 21.7 1.0 H13 A:B12501 4.9 18.5 1.0 C37 A:B12501 4.9 11.7 1.0 H481 A:B12501 4.9 21.1 1.0 H412 A:B12501 4.9 15.0 1.0 H561 A:B12501 4.9 19.0 1.0 C46 A:B12501 4.9 14.4 1.0 H302 A:B12501 4.9 22.5 1.0 H482 A:B12501 4.9 21.1 1.0 H262 A:B12501 5.0 20.2 1.0 H8 A:B12501 5.0 14.0 1.0 C48 A:B12501 5.0 17.6 1.0

J.S.Bloch, M.Ruetz, B.Krautler, K.P.Locher. Structure of the Human Transcobalamin Beta Domain in Four Distinct States. Plos One V. 12 84932 2017.
ISSN: ESSN 1932-6203
PubMed: 28910388
DOI: 10.1371/JOURNAL.PONE.0184932