Cobalt in PDB 4u6i: Crystal Structure of the Eutl Microcompartment Shell Protein From Clostridium Perfringens Bound to Vitamin B12

The structure of Crystal Structure of the Eutl Microcompartment Shell Protein From Clostridium Perfringens Bound to Vitamin B12, PDB code: 4u6i was solved by M.C.Thompson, C.S.Crowley, J.S.Kopstein, T.O.Yeates, with X-Ray Crystallography technique. A brief refinement statistics is given in the table below:

Resolution Low / High (Å)	72.27 / 2.10
Space group	P 43 21 2
Cell size a, b, c (Å), α, β, γ (°)	88.230, 88.230, 252.010, 90.00, 90.00, 90.00
R / Rfree (%)	18.5 / 21

The structure of Crystal Structure of the Eutl Microcompartment Shell Protein From Clostridium Perfringens Bound to Vitamin B12 also contains other interesting chemical elements:

Sodium

(Na)

1 atom

The binding sites of Cobalt atom in the Crystal Structure of the Eutl Microcompartment Shell Protein From Clostridium Perfringens Bound to Vitamin B12 (pdb code 4u6i). 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 the Eutl Microcompartment Shell Protein From Clostridium Perfringens Bound to Vitamin B12, PDB code: 4u6i:

Cobalt binding site 1 out of 1 in the Crystal Structure of the Eutl Microcompartment Shell Protein From Clostridium Perfringens Bound to Vitamin 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 the Eutl Microcompartment Shell Protein From Clostridium Perfringens Bound to Vitamin B12 within 5.0Å range: probe atom residue distance (Å) B Occ C:Co301 b:91.3 occ:0.95 CO C:B12301 0.0 91.3 0.9 N21 C:B12301 1.9 0.2 1.0 N24 C:B12301 1.9 0.0 1.0 N23 C:B12301 1.9 90.8 0.9 N22 C:B12301 1.9 100.0 0.9 N3B C:B12301 2.0 97.4 0.9 NE2 C:HIS32 2.2 75.8 1.0 C19 C:B12301 2.8 93.8 0.9 C2B C:B12301 2.9 98.1 0.9 C9 C:B12301 2.9 0.3 1.0 C1 C:B12301 2.9 95.1 0.9 C4 C:B12301 2.9 93.4 0.9 C11 C:B12301 2.9 90.0 0.9 C6 C:B12301 2.9 91.7 0.9 C16 C:B12301 3.0 99.9 0.9 C14 C:B12301 3.0 91.0 0.9 CE1 C:HIS32 3.1 64.8 1.0 CD2 C:HIS32 3.2 63.3 1.0 C9B C:B12301 3.2 93.6 0.9 C10 C:B12301 3.3 89.6 0.9 C5 C:B12301 3.3 90.9 0.9 C15 C:B12301 3.4 91.5 0.9 C20 C:B12301 3.4 96.5 0.9 C4B C:B12301 3.9 0.3 1.0 C18 C:B12301 4.1 99.0 0.9 N1B C:B12301 4.1 95.8 0.9 C2 C:B12301 4.2 0.5 1.0 C7 C:B12301 4.2 0.5 1.0 C3 C:B12301 4.2 92.6 0.9 C8 C:B12301 4.2 89.8 0.9 C12 C:B12301 4.2 89.5 0.9 ND1 C:HIS32 4.2 71.8 1.0 C17 C:B12301 4.3 92.6 0.9 C13 C:B12301 4.3 90.5 0.9 CG C:HIS32 4.3 61.3 1.0 C8B C:B12301 4.3 94.3 0.9 C37 C:B12301 4.7 88.1 0.9 C26 C:B12301 4.7 95.8 0.9 C35 C:B12301 4.8 90.5 0.9 C48 C:B12301 4.9 97.1 0.9 C46 C:B12301 4.9 88.3 0.9 C41 C:B12301 4.9 96.5 0.9 C53 C:B12301 4.9 91.7 0.9 C30 C:B12301 5.0 97.8 0.9

M.C.Thompson, C.S.Crowley, J.S.Kopstein, T.A.Bobik, T.O.Yeates. X-Ray Crystal Structure of A Bacterial Microcompartment Shell Protein Bound to A Cobalamin Cofactor. Acta Crystallogr.,Sect.F 2014.
ISSN: ESSN 1744-3091