Cobalt in PDB 5uos: Crystal Structure of Cblc (Mmachc) (1-238), A Human B12 Processing Enzyme, Complexed with An Antivitamin B12

The structure of Crystal Structure of Cblc (Mmachc) (1-238), A Human B12 Processing Enzyme, Complexed with An Antivitamin B12, PDB code: 5uos was solved by A.Shanmuganathan, A.Karasik, M.Ruetz, R.Banerjee, B.Krautler, M.Koutmos, with X-Ray Crystallography technique. A brief refinement statistics is given in the table below:

Resolution Low / High (Å)	99.10 / 2.51
Space group	P 61 2 2
Cell size a, b, c (Å), α, β, γ (°)	114.432, 114.432, 150.631, 90.00, 90.00, 120.00
R / Rfree (%)	17.6 / 21.4

The structure of Crystal Structure of Cblc (Mmachc) (1-238), A Human B12 Processing Enzyme, Complexed with An Antivitamin B12 also contains other interesting chemical elements:

Fluorine	(F)	2 atoms
Sodium	(Na)	1 atom

The binding sites of Cobalt atom in the Crystal Structure of Cblc (Mmachc) (1-238), A Human B12 Processing Enzyme, Complexed with An Antivitamin B12 (pdb code 5uos). 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 Crystal Structure of Cblc (Mmachc) (1-238), A Human B12 Processing Enzyme, Complexed with An Antivitamin B12, PDB code: 5uos:

Cobalt binding site 1 out of 1 in the Crystal Structure of Cblc (Mmachc) (1-238), A Human B12 Processing Enzyme, Complexed with An Antivitamin B12


Mono view


Stereo pair view

A full contact list of Cobalt with other atoms in the Co binding site number 1 of Crystal Structure of Cblc (Mmachc) (1-238), A Human B12 Processing Enzyme, Complexed with An Antivitamin B12 within 5.0Å range: probe atom residue distance (Å) B Occ A:Co301 b:45.6 occ:1.00 CO A:B12301 0.0 45.6 1.0 N21 A:B12301 1.8 47.3 1.0 N24 A:B12301 1.9 46.2 1.0 N23 A:B12301 1.9 56.3 1.0 N22 A:B12301 2.0 51.6 1.0 C19 A:B12301 2.7 42.3 1.0 C1 A:B12301 2.7 42.4 1.0 C4 A:B12301 2.8 43.3 1.0 C14 A:B12301 2.9 55.1 1.0 C16 A:B12301 2.9 46.5 1.0 C6 A:B12301 2.9 49.8 1.0 C9 A:B12301 2.9 54.5 1.0 C11 A:B12301 2.9 57.8 1.0 H202 A:B12301 3.1 37.7 1.0 C10 A:B12301 3.2 57.3 1.0 C15 A:B12301 3.3 51.7 1.0 C5 A:B12301 3.3 45.7 1.0 H451 A:B12301 3.3 73.6 1.0 C20 A:B12301 3.4 37.7 1.0 CAI A:8FS302 3.4 82.5 1.0 H492 A:B12301 3.8 73.0 1.0 H203 A:B12301 3.8 37.7 1.0 H261 A:B12301 4.0 38.1 1.0 C2 A:B12301 4.0 41.3 1.0 C18 A:B12301 4.1 44.1 1.0 H10 A:B12301 4.1 57.3 1.0 C3 A:B12301 4.1 43.1 1.0 CAJ A:8FS302 4.1 77.3 1.0 N45 A:B12301 4.1 73.6 1.0 C17 A:B12301 4.2 45.5 1.0 H201 A:B12301 4.2 37.7 1.0 C7 A:B12301 4.2 51.8 1.0 C13 A:B12301 4.2 56.1 1.0 C8 A:B12301 4.2 54.5 1.0 C12 A:B12301 4.3 57.9 1.0 H452 A:B12301 4.4 73.6 1.0 HZ A:PHE196 4.4 39.6 1.0 H371 A:B12301 4.5 48.7 1.0 H521 A:B12301 4.5 83.0 1.0 C26 A:B12301 4.5 38.1 1.0 H18 A:B12301 4.5 44.1 1.0 H542 A:B12301 4.6 39.8 1.0 FAE A:8FS302 4.6 72.0 1.0 H372 A:B12301 4.7 48.7 1.0 C49 A:B12301 4.7 73.0 1.0 H412 A:B12301 4.7 57.8 1.0 C37 A:B12301 4.7 48.7 1.0 H3 A:B12301 4.8 43.1 1.0 C35 A:B12301 4.8 41.7 1.0 C53 A:B12301 4.8 45.1 1.0 H462 A:B12301 4.8 50.5 1.0 H561 A:B12301 4.8 44.3 1.0 H262 A:B12301 4.9 38.1 1.0 H13 A:B12301 4.9 56.1 1.0 C54 A:B12301 4.9 39.8 1.0 H302 A:B12301 4.9 40.8 1.0 H8 A:B12301 4.9 54.5 1.0 C41 A:B12301 5.0 57.8 1.0

M.Ruetz, A.Shanmuganathan, C.Gherasim, A.Karasik, R.Salchner, C.Kieninger, K.Wurst, R.Banerjee, M.Koutmos, B.Krautler. Antivitamin B12 Inhibition of the Human B12 -Processing Enzyme Cblc: Crystal Structure of An Inactive Ternary Complex with Glutathione As the Cosubstrate. Angew. Chem. Int. Ed. Engl. V. 56 7387 2017.
ISSN: ESSN 1521-3773
PubMed: 28544088
DOI: 10.1002/ANIE.201701583