Cobalt in PDB 3whp: Crystal Structure of the C-Terminal Domain of Themus Thermophilus Litr in Complex with Cobalamin

The structure of Crystal Structure of the C-Terminal Domain of Themus Thermophilus Litr in Complex with Cobalamin, PDB code: 3whp was solved by Y.Agari, H.Takano, T.Beppu, K.Ueda, A.Shinkai, with X-Ray Crystallography technique. A brief refinement statistics is given in the table below:

Resolution Low / High (Å)	32.54 / 2.52
Space group	P 42 21 2
Cell size a, b, c (Å), α, β, γ (°)	95.366, 95.366, 50.333, 90.00, 90.00, 90.00
R / Rfree (%)	22.4 / 24.7

The binding sites of Cobalt atom in the Crystal Structure of the C-Terminal Domain of Themus Thermophilus Litr in Complex with Cobalamin (pdb code 3whp). 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 C-Terminal Domain of Themus Thermophilus Litr in Complex with Cobalamin, PDB code: 3whp:

Cobalt binding site 1 out of 1 in the Crystal Structure of the C-Terminal Domain of Themus Thermophilus Litr in Complex with Cobalamin


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 C-Terminal Domain of Themus Thermophilus Litr in Complex with Cobalamin within 5.0Å range: probe atom residue distance (Å) B Occ A:Co800 b:20.5 occ:1.00 CO A:B12800 0.0 20.5 1.0 N23 A:B12800 1.7 61.8 1.0 N21 A:B12800 1.7 53.6 1.0 N22 A:B12800 1.8 50.5 1.0 N24 A:B12800 1.9 52.0 1.0 NE2 A:HIS177 2.3 63.2 1.0 NE2 A:HIS132 2.3 86.7 1.0 C14 A:B12800 2.5 55.8 1.0 C11 A:B12800 2.6 55.1 1.0 C16 A:B12800 2.7 59.4 1.0 C9 A:B12800 2.7 58.9 1.0 C19 A:B12800 2.8 60.9 1.0 C1 A:B12800 2.9 64.5 1.0 C15 A:B12800 2.9 62.3 1.0 C4 A:B12800 2.9 59.7 1.0 C6 A:B12800 2.9 63.0 1.0 C10 A:B12800 3.0 39.0 1.0 CD2 A:HIS177 3.1 54.7 1.0 CE1 A:HIS132 3.3 90.0 1.0 CE1 A:HIS177 3.3 63.3 1.0 CD2 A:HIS132 3.3 88.3 1.0 C5 A:B12800 3.4 64.3 1.0 C20 A:B12800 3.4 50.7 1.0 C12 A:B12800 3.9 61.9 1.0 C13 A:B12800 3.9 53.3 1.0 C17 A:B12800 4.0 69.6 1.0 C8 A:B12800 4.0 66.0 1.0 C18 A:B12800 4.1 65.2 1.0 C2 A:B12800 4.2 62.8 1.0 C7 A:B12800 4.2 73.1 1.0 C3 A:B12800 4.3 66.8 1.0 CG A:HIS177 4.3 57.0 1.0 ND1 A:HIS177 4.4 67.5 1.0 C53 A:B12800 4.4 61.4 1.0 ND1 A:HIS132 4.4 93.3 1.0 CG A:HIS132 4.5 86.0 1.0 C26 A:B12800 4.6 64.0 1.0 C37 A:B12800 4.7 73.5 1.0 C48 A:B12800 4.8 57.1 1.0 C46 A:B12800 4.8 52.3 1.0 C54 A:B12800 4.8 61.2 1.0 C55 A:B12800 4.9 69.9 1.0 C35 A:B12800 4.9 63.5 1.0 C56 A:B12800 4.9 68.1 1.0

Y.Agari, H.Takano, T.Beppu, K.Ueda, A.Shinkai. Crystal Structure of the C-Terminal Domain of Themus Thermophilus Litr in Complex with Cobalamin To Be Published.