Cobalt in PDB 4r3u: Crystal Structure of 2-Hydroxyisobutyryl-Coa Mutase

The structure of Crystal Structure of 2-Hydroxyisobutyryl-Coa Mutase, PDB code: 4r3u was solved by M.Zahn, N.Kurteva-Yaneva, T.Rohwerder, N.Straeter, with X-Ray Crystallography technique. A brief refinement statistics is given in the table below:

Resolution Low / High (Å)	24.63 / 2.50
Space group	C 1 2 1
Cell size a, b, c (Å), α, β, γ (°)	69.030, 119.560, 173.940, 90.00, 91.23, 90.00
R / Rfree (%)	16.8 / 21.7

The binding sites of Cobalt atom in the Crystal Structure of 2-Hydroxyisobutyryl-Coa Mutase (pdb code 4r3u). This binding sites where shown within 5.0 Angstroms radius around Cobalt atom.
In total 2 binding sites of Cobalt where determined in the Crystal Structure of 2-Hydroxyisobutyryl-Coa Mutase, PDB code: 4r3u:
Jump to Cobalt binding site number: 1; 2;

Cobalt binding site 1 out of 2 in the Crystal Structure of 2-Hydroxyisobutyryl-Coa Mutase


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 2-Hydroxyisobutyryl-Coa Mutase within 5.0Å range: probe atom residue distance (Å) B Occ C:Co800 b:24.1 occ:1.00 CO C:B12800 0.0 24.1 1.0 N21 C:B12800 1.9 24.0 1.0 N24 C:B12800 1.9 29.0 1.0 N23 C:B12800 1.9 21.2 1.0 N22 C:B12800 1.9 27.1 1.0 NE2 C:HIS18 2.6 19.8 1.0 C19 C:B12800 2.8 27.3 1.0 C9 C:B12800 2.9 23.4 1.0 C1 C:B12800 2.9 27.2 1.0 C4 C:B12800 2.9 24.0 1.0 C11 C:B12800 3.0 22.9 1.0 C14 C:B12800 3.0 20.1 1.0 C16 C:B12800 3.0 27.2 1.0 C6 C:B12800 3.0 26.9 1.0 C5' A:5AD803 3.2 30.7 0.5 C10 C:B12800 3.3 23.8 1.0 C5 C:B12800 3.4 24.5 1.0 CD2 C:HIS18 3.4 19.9 1.0 C15 C:B12800 3.4 21.9 1.0 C20 C:B12800 3.6 26.1 1.0 CE1 C:HIS18 3.7 19.9 1.0 O A:HOH1053 4.1 3.0 0.5 C2 C:B12800 4.1 23.4 1.0 C18 C:B12800 4.1 27.7 1.0 C3 C:B12800 4.2 23.2 1.0 C8 C:B12800 4.2 20.2 1.0 C13 C:B12800 4.3 16.7 1.0 C17 C:B12800 4.3 29.4 1.0 C12 C:B12800 4.3 18.2 1.0 C7 C:B12800 4.3 24.4 1.0 C26 C:B12800 4.4 22.8 1.0 C4' A:5AD803 4.6 30.2 0.5 CG C:HIS18 4.6 20.3 1.0 O4' A:5AD803 4.7 28.1 0.5 ND1 C:HIS18 4.8 21.0 1.0 O C:HOH938 4.8 6.1 0.5 O A:HOH978 4.8 26.4 1.0 C48 C:B12800 4.8 15.9 1.0 C41 C:B12800 4.9 18.1 1.0 C35 C:B12800 4.9 19.7 1.0 C53 C:B12800 4.9 22.5 1.0 C46 C:B12800 4.9 15.1 1.0

Cobalt binding site 2 out of 2 in the Crystal Structure of 2-Hydroxyisobutyryl-Coa Mutase


Mono view


Stereo pair view

A full contact list of Cobalt with other atoms in the Co binding site number 2 of Crystal Structure of 2-Hydroxyisobutyryl-Coa Mutase within 5.0Å range: probe atom residue distance (Å) B Occ D:Co800 b:40.5 occ:1.00 CO D:B12800 0.0 40.5 1.0 N21 D:B12800 1.9 39.5 1.0 N24 D:B12800 1.9 36.4 1.0 N23 D:B12800 1.9 37.0 1.0 N22 D:B12800 1.9 34.2 1.0 NE2 D:HIS18 2.7 64.8 1.0 C19 D:B12800 2.8 38.5 1.0 C9 D:B12800 2.9 33.9 1.0 C1 D:B12800 2.9 41.8 1.0 C4 D:B12800 2.9 38.7 1.0 C11 D:B12800 2.9 38.8 1.0 C14 D:B12800 3.0 35.4 1.0 C16 D:B12800 3.0 37.5 1.0 C6 D:B12800 3.0 38.7 1.0 C10 D:B12800 3.3 36.8 1.0 C5 D:B12800 3.4 35.7 1.0 C15 D:B12800 3.4 33.2 1.0 CD2 D:HIS18 3.5 64.2 1.0 C20 D:B12800 3.6 42.8 1.0 CE1 D:HIS18 3.7 64.4 1.0 C2 D:B12800 4.1 43.3 1.0 C18 D:B12800 4.1 42.7 1.0 C3 D:B12800 4.2 43.7 1.0 C8 D:B12800 4.2 40.3 1.0 C17 D:B12800 4.3 43.1 1.0 C13 D:B12800 4.3 39.0 1.0 C12 D:B12800 4.3 36.5 1.0 C7 D:B12800 4.3 40.0 1.0 C26 D:B12800 4.4 42.9 1.0 CG D:HIS18 4.7 62.2 1.0 ND1 D:HIS18 4.8 64.1 1.0 C48 D:B12800 4.9 44.6 1.0 C35 D:B12800 4.9 30.0 1.0 C41 D:B12800 4.9 48.0 1.0 C53 D:B12800 4.9 32.3 1.0 C46 D:B12800 4.9 34.8 1.0 C54 D:B12800 5.0 44.6 1.0

N.Kurteva-Yaneva, M.Zahn, R.Starke, H.Harms, R.Mueller, N.Straeter, T.Rohwerder. Structural Basis of the Stereospecificity of Bacterial B12-Dependent 2-Hydroxyisobutyryl-Coa Mutase To Be Published.