Cobalt in PDB 3wfu: Crystal Structure of Horse Heart Myoglobin Reconstituted with Cobalt(I) Tetradehydrocorrin

The structure of Crystal Structure of Horse Heart Myoglobin Reconstituted with Cobalt(I) Tetradehydrocorrin, PDB code: 3wfu was solved by E.Mizohata, Y.Morita, K.Oohora, K.Hirata, J.Ohbayashi, T.Inoue, Y.Hisaeda, T.Hayashi, with X-Ray Crystallography technique. A brief refinement statistics is given in the table below:

Resolution Low / High (Å)	15.00 / 1.35
Space group	P 1 21 1
Cell size a, b, c (Å), α, β, γ (°)	34.836, 28.720, 63.352, 90.00, 105.60, 90.00
R / Rfree (%)	14.3 / 19.7

The binding sites of Cobalt atom in the Crystal Structure of Horse Heart Myoglobin Reconstituted with Cobalt(I) Tetradehydrocorrin (pdb code 3wfu). 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 Horse Heart Myoglobin Reconstituted with Cobalt(I) Tetradehydrocorrin, PDB code: 3wfu:
Jump to Cobalt binding site number: 1; 2;

Cobalt binding site 1 out of 2 in the Crystal Structure of Horse Heart Myoglobin Reconstituted with Cobalt(I) Tetradehydrocorrin


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 Horse Heart Myoglobin Reconstituted with Cobalt(I) Tetradehydrocorrin within 5.0Å range: probe atom residue distance (Å) B Occ A:Co1001 b:12.7 occ:0.65 CO A:J1R1001 0.0 12.7 0.7 CO A:J1S1002 0.0 12.0 0.3 NA A:J1R1001 1.8 11.8 0.7 NA A:J1S1002 1.9 12.2 0.3 ND A:J1S1002 1.9 14.4 0.3 ND A:J1R1001 1.9 16.3 0.7 NB A:J1S1002 1.9 10.8 0.3 NB A:J1R1001 1.9 10.3 0.7 NC A:J1R1001 1.9 13.1 0.7 NC A:J1S1002 1.9 10.1 0.3 C1A A:J1R1001 2.8 15.7 0.7 C1A A:J1S1002 2.8 14.1 0.3 C4D A:J1R1001 2.8 17.8 0.7 C4D A:J1S1002 2.8 14.2 0.3 C1B A:J1R1001 2.9 11.2 0.7 C1B A:J1S1002 2.9 12.1 0.3 C4C A:J1R1001 2.9 14.6 0.7 C4C A:J1S1002 2.9 11.9 0.3 C1C A:J1S1002 3.0 10.2 0.3 C1C A:J1R1001 3.0 11.7 0.7 C4B A:J1R1001 3.0 11.8 0.7 C4B A:J1S1002 3.0 10.9 0.3 C4A A:J1R1001 3.0 10.9 0.7 C1D A:J1S1002 3.0 13.7 0.3 C4A A:J1S1002 3.0 12.7 0.3 C1D A:J1R1001 3.0 14.9 0.7 CAA A:J1S1002 3.3 14.4 0.3 CHB A:J1R1001 3.3 12.2 0.7 CHA A:J1R1001 3.3 11.1 0.7 CHB A:J1S1002 3.4 10.7 0.3 CHC A:J1S1002 3.4 9.9 0.3 CHC A:J1R1001 3.4 15.1 0.7 CHA A:J1S1002 3.4 11.9 0.3 CAD A:J1R1001 3.4 14.1 0.7 CAA A:J1R1001 3.4 15.7 0.7 CAD A:J1S1002 3.4 13.1 0.3 NE2 A:HIS93 3.4 27.1 1.0 CE1 A:HIS93 3.8 32.8 1.0 CD2 A:HIS93 3.9 33.1 1.0 C3D A:J1S1002 4.0 14.4 0.3 C2A A:J1R1001 4.0 13.3 0.7 C2A A:J1S1002 4.0 13.3 0.3 C3D A:J1R1001 4.0 16.0 0.7 C2B A:J1R1001 4.1 10.8 0.7 C3A A:J1R1001 4.1 11.5 0.7 C2B A:J1S1002 4.1 11.2 0.3 C2D A:J1S1002 4.1 13.9 0.3 C2C A:J1R1001 4.1 13.8 0.7 C3C A:J1R1001 4.1 15.5 0.7 C3B A:J1R1001 4.1 12.2 0.7 C3A A:J1S1002 4.1 13.1 0.3 C2C A:J1S1002 4.1 10.6 0.3 NE2 A:HIS64 4.1 11.5 1.0 C3B A:J1S1002 4.2 11.5 0.3 C3C A:J1S1002 4.2 11.8 0.3 C2D A:J1R1001 4.2 15.0 0.7 CG1 A:VAL68 4.3 10.3 0.4 ND1 A:HIS93 4.4 36.4 1.0 CG2 A:VAL68 4.4 8.3 0.6 CG A:HIS93 4.5 33.0 1.0 CE1 A:HIS64 4.8 15.7 1.0 CZ A:PHE43 4.9 16.6 1.0

Cobalt binding site 2 out of 2 in the Crystal Structure of Horse Heart Myoglobin Reconstituted with Cobalt(I) Tetradehydrocorrin


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 Horse Heart Myoglobin Reconstituted with Cobalt(I) Tetradehydrocorrin within 5.0Å range: probe atom residue distance (Å) B Occ A:Co1002 b:12.0 occ:0.35 CO A:J1S1002 0.0 12.0 0.3 CO A:J1R1001 0.0 12.7 0.7 NA A:J1R1001 1.8 11.8 0.7 NA A:J1S1002 1.9 12.2 0.3 ND A:J1S1002 1.9 14.4 0.3 ND A:J1R1001 1.9 16.3 0.7 NC A:J1R1001 1.9 13.1 0.7 NB A:J1S1002 1.9 10.8 0.3 NC A:J1S1002 1.9 10.1 0.3 NB A:J1R1001 1.9 10.3 0.7 C1A A:J1R1001 2.7 15.7 0.7 C1A A:J1S1002 2.8 14.1 0.3 C4D A:J1R1001 2.8 17.8 0.7 C4D A:J1S1002 2.8 14.2 0.3 C1B A:J1R1001 2.9 11.2 0.7 C1B A:J1S1002 2.9 12.1 0.3 C4C A:J1R1001 2.9 14.6 0.7 C4C A:J1S1002 2.9 11.9 0.3 C1C A:J1S1002 3.0 10.2 0.3 C1C A:J1R1001 3.0 11.7 0.7 C4B A:J1R1001 3.0 11.8 0.7 C4A A:J1R1001 3.0 10.9 0.7 C4B A:J1S1002 3.0 10.9 0.3 C1D A:J1S1002 3.0 13.7 0.3 C4A A:J1S1002 3.0 12.7 0.3 C1D A:J1R1001 3.0 14.9 0.7 CAA A:J1S1002 3.3 14.4 0.3 CHB A:J1R1001 3.3 12.2 0.7 CHA A:J1R1001 3.3 11.1 0.7 CHB A:J1S1002 3.4 10.7 0.3 CHC A:J1S1002 3.4 9.9 0.3 CAD A:J1R1001 3.4 14.1 0.7 CHC A:J1R1001 3.4 15.1 0.7 CHA A:J1S1002 3.4 11.9 0.3 CAA A:J1R1001 3.4 15.7 0.7 CAD A:J1S1002 3.4 13.1 0.3 NE2 A:HIS93 3.4 27.1 1.0 CE1 A:HIS93 3.8 32.8 1.0 CD2 A:HIS93 3.9 33.1 1.0 C3D A:J1S1002 4.0 14.4 0.3 C2A A:J1R1001 4.0 13.3 0.7 C3D A:J1R1001 4.0 16.0 0.7 C2A A:J1S1002 4.0 13.3 0.3 C3A A:J1R1001 4.1 11.5 0.7 C2B A:J1R1001 4.1 10.8 0.7 C2D A:J1S1002 4.1 13.9 0.3 C2B A:J1S1002 4.1 11.2 0.3 C2C A:J1R1001 4.1 13.8 0.7 C3A A:J1S1002 4.1 13.1 0.3 NE2 A:HIS64 4.1 11.5 1.0 C3C A:J1R1001 4.1 15.5 0.7 C2C A:J1S1002 4.1 10.6 0.3 C3B A:J1R1001 4.1 12.2 0.7 C3C A:J1S1002 4.2 11.8 0.3 C2D A:J1R1001 4.2 15.0 0.7 C3B A:J1S1002 4.2 11.5 0.3 CG1 A:VAL68 4.2 10.3 0.4 CG2 A:VAL68 4.4 8.3 0.6 ND1 A:HIS93 4.4 36.4 1.0 CG A:HIS93 4.5 33.0 1.0 CE1 A:HIS64 4.8 15.7 1.0 CZ A:PHE43 4.9 16.6 1.0

T.Hayashi, Y.Morita, E.Mizohata, K.Oohora, J.Ohbayashi, T.Inoue, Y.Hisaeda. Co(II)/Co(I) Reduction-Induced Axial Histidine-Flipping in Myoglobin Reconstituted with A Cobalt Tetradehydrocorrin As A Methionine Synthase Model. Chem.Commun.(Camb.) V. 50 12560 2014.
ISSN: ISSN 1359-7345
PubMed: 25197974
DOI: 10.1039/C4CC05448B