Cobalt in PDB 7vf7: Crystal Structure of Hasap with Co-Octaethylporphyrin

The structure of Crystal Structure of Hasap with Co-Octaethylporphyrin, PDB code: 7vf7 was solved by A.Takiguchi, E.Sakakibara, H.Sugimoto, O.Shoji, H.Shinokubo, with X-Ray Crystallography technique. A brief refinement statistics is given in the table below:

Resolution Low / High (Å)	45.26 / 1.35
Space group	P 21 21 21
Cell size a, b, c (Å), α, β, γ (°)	46.28, 76.12, 168.62, 90, 90, 90
R / Rfree (%)	13.8 / 16.2

The binding sites of Cobalt atom in the Crystal Structure of Hasap with Co-Octaethylporphyrin (pdb code 7vf7). This binding sites where shown within 5.0 Angstroms radius around Cobalt atom.
In total 5 binding sites of Cobalt where determined in the Crystal Structure of Hasap with Co-Octaethylporphyrin, PDB code: 7vf7:
Jump to Cobalt binding site number: 1; 2; 3; 4; 5;

Cobalt binding site 1 out of 5 in the Crystal Structure of Hasap with Co-Octaethylporphyrin


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 Hasap with Co-Octaethylporphyrin within 5.0Å range: probe atom residue distance (Å) B Occ A:Co201 b:13.2 occ:0.49 CO A:6KI201 0.0 13.2 0.5 CO A:6KI201 0.0 16.4 0.5 N3 A:6KI201 1.9 15.6 0.5 N1 A:6KI201 1.9 13.2 0.5 N2 A:6KI201 1.9 13.9 0.5 N4 A:6KI201 2.0 15.5 0.5 N3 A:6KI201 2.0 14.0 0.5 N4 A:6KI201 2.0 13.9 0.5 N2 A:6KI201 2.0 15.0 0.5 N1 A:6KI201 2.0 14.6 0.5 NE2 A:HIS32 2.1 15.6 1.0 OH A:TYR75 2.2 21.4 1.0 C12 A:6KI201 3.0 15.2 0.5 C13 A:6KI201 3.0 15.2 0.5 C7 A:6KI201 3.0 14.2 0.5 C4 A:6KI201 3.0 14.4 0.5 C17 A:6KI201 3.0 15.5 0.5 C3 A:6KI201 3.0 14.4 0.5 C8 A:6KI201 3.0 14.1 0.5 C17 A:6KI201 3.0 14.6 0.5 C12 A:6KI201 3.0 13.9 0.5 C13 A:6KI201 3.0 14.6 0.5 C8 A:6KI201 3.0 15.1 0.5 C18 A:6KI201 3.0 14.2 0.5 C18 A:6KI201 3.0 15.1 0.5 C7 A:6KI201 3.0 15.6 0.5 C3 A:6KI201 3.0 14.8 0.5 C4 A:6KI201 3.0 15.1 0.5 CE1 A:HIS32 3.0 15.4 1.0 CD2 A:HIS32 3.1 14.6 1.0 CZ A:TYR75 3.1 16.7 1.0 C20 A:6KI201 3.4 15.1 0.5 C14 A:6KI201 3.4 14.8 0.5 C9 A:6KI201 3.4 14.6 0.5 C20 A:6KI201 3.4 14.4 0.5 C14 A:6KI201 3.4 15.2 0.5 C19 A:6KI201 3.4 14.6 0.5 C19 A:6KI201 3.4 14.3 0.5 C9 A:6KI201 3.4 16.0 0.5 CE2 A:TYR75 3.9 17.2 1.0 CE1 A:TYR75 3.9 16.0 1.0 ND1 A:HIS83 3.9 15.4 1.0 ND1 A:HIS32 4.2 16.0 1.0 C11 A:6KI201 4.2 16.3 0.5 C10 A:6KI201 4.2 16.1 0.5 C1 A:6KI201 4.2 15.3 0.5 C2 A:6KI201 4.2 15.6 0.5 C6 A:6KI201 4.2 14.3 0.5 CG A:HIS32 4.2 14.9 1.0 C16 A:6KI201 4.2 15.8 0.5 C16 A:6KI201 4.2 15.4 0.5 C5 A:6KI201 4.2 14.0 0.5 C11 A:6KI201 4.2 14.3 0.5 C10 A:6KI201 4.3 14.9 0.5 C15 A:6KI201 4.3 14.6 0.5 C15 A:6KI201 4.3 15.3 0.5 C5 A:6KI201 4.3 16.1 0.5 C6 A:6KI201 4.3 16.3 0.5 C2 A:6KI201 4.3 15.2 0.5 C1 A:6KI201 4.3 15.4 0.5 CE1 A:HIS83 4.6 17.3 1.0 CG A:HIS83 4.8 15.1 1.0 CB A:HIS83 5.0 15.6 1.0

Cobalt binding site 2 out of 5 in the Crystal Structure of Hasap with Co-Octaethylporphyrin


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 Hasap with Co-Octaethylporphyrin within 5.0Å range: probe atom residue distance (Å) B Occ A:Co201 b:16.4 occ:0.51 CO A:6KI201 0.0 16.4 0.5 CO A:6KI201 0.0 13.2 0.5 N1 A:6KI201 1.9 13.2 0.5 N2 A:6KI201 1.9 13.9 0.5 N1 A:6KI201 1.9 14.6 0.5 N2 A:6KI201 2.0 15.0 0.5 N3 A:6KI201 2.0 15.6 0.5 N4 A:6KI201 2.0 15.5 0.5 N4 A:6KI201 2.0 13.9 0.5 N3 A:6KI201 2.0 14.0 0.5 NE2 A:HIS32 2.1 15.6 1.0 OH A:TYR75 2.2 21.4 1.0 C4 A:6KI201 2.9 14.4 0.5 C3 A:6KI201 3.0 14.4 0.5 C7 A:6KI201 3.0 14.2 0.5 C4 A:6KI201 3.0 15.1 0.5 C3 A:6KI201 3.0 14.8 0.5 C7 A:6KI201 3.0 15.6 0.5 C8 A:6KI201 3.0 14.1 0.5 C12 A:6KI201 3.0 15.2 0.5 C18 A:6KI201 3.0 14.2 0.5 C17 A:6KI201 3.0 15.5 0.5 C13 A:6KI201 3.0 15.2 0.5 C8 A:6KI201 3.0 15.1 0.5 C18 A:6KI201 3.0 15.1 0.5 C17 A:6KI201 3.0 14.6 0.5 C12 A:6KI201 3.0 13.9 0.5 C13 A:6KI201 3.1 14.6 0.5 CE1 A:HIS32 3.1 15.4 1.0 CZ A:TYR75 3.1 16.7 1.0 CD2 A:HIS32 3.1 14.6 1.0 C9 A:6KI201 3.3 14.6 0.5 C19 A:6KI201 3.4 14.6 0.5 C9 A:6KI201 3.4 16.0 0.5 C14 A:6KI201 3.4 14.8 0.5 C19 A:6KI201 3.4 14.3 0.5 C20 A:6KI201 3.4 15.1 0.5 C14 A:6KI201 3.4 15.2 0.5 C20 A:6KI201 3.4 14.4 0.5 CE1 A:TYR75 3.9 16.0 1.0 CE2 A:TYR75 3.9 17.2 1.0 ND1 A:HIS83 3.9 15.4 1.0 C1 A:6KI201 4.2 15.3 0.5 C2 A:6KI201 4.2 15.6 0.5 ND1 A:HIS32 4.2 16.0 1.0 C6 A:6KI201 4.2 14.3 0.5 C1 A:6KI201 4.2 15.4 0.5 C2 A:6KI201 4.2 15.2 0.5 C5 A:6KI201 4.2 14.0 0.5 CG A:HIS32 4.2 14.9 1.0 C11 A:6KI201 4.2 16.3 0.5 C6 A:6KI201 4.3 16.3 0.5 C16 A:6KI201 4.3 15.8 0.5 C16 A:6KI201 4.3 15.4 0.5 C10 A:6KI201 4.3 16.1 0.5 C15 A:6KI201 4.3 14.6 0.5 C5 A:6KI201 4.3 16.1 0.5 C15 A:6KI201 4.3 15.3 0.5 C11 A:6KI201 4.3 14.3 0.5 C10 A:6KI201 4.3 14.9 0.5 CE1 A:HIS83 4.6 17.3 1.0 CG A:HIS83 4.8 15.1 1.0 CB A:HIS83 4.9 15.6 1.0

Cobalt binding site 3 out of 5 in the Crystal Structure of Hasap with Co-Octaethylporphyrin


Mono view


Stereo pair view

A full contact list of Cobalt with other atoms in the Co binding site number 3 of Crystal Structure of Hasap with Co-Octaethylporphyrin within 5.0Å range: probe atom residue distance (Å) B Occ B:Co201 b:15.8 occ:0.50 CO B:6KI201 0.0 15.8 0.5 CO B:6KI201 0.1 14.8 0.5 N1 B:6KI201 1.9 15.5 0.5 N4 B:6KI201 2.0 14.7 0.5 N1 B:6KI201 2.0 15.4 0.5 N3 B:6KI201 2.0 15.3 0.5 N2 B:6KI201 2.0 16.8 0.5 N4 B:6KI201 2.0 14.8 0.5 N2 B:6KI201 2.0 15.3 0.5 N3 B:6KI201 2.0 15.0 0.5 NE2 B:HIS32 2.1 15.5 1.0 OH B:TYR75 2.3 19.8 1.0 C3 B:6KI201 2.9 16.5 0.5 C4 B:6KI201 2.9 15.6 0.5 C18 B:6KI201 3.0 15.9 0.5 C12 B:6KI201 3.0 16.1 0.5 C8 B:6KI201 3.0 18.4 0.5 C7 B:6KI201 3.0 16.2 0.5 C4 B:6KI201 3.0 15.2 0.5 C17 B:6KI201 3.0 16.0 0.5 C17 B:6KI201 3.0 14.4 0.5 C18 B:6KI201 3.0 15.1 0.5 C3 B:6KI201 3.0 15.8 0.5 C7 B:6KI201 3.0 15.3 0.5 C13 B:6KI201 3.0 14.2 0.5 C8 B:6KI201 3.0 17.2 0.5 C12 B:6KI201 3.1 15.7 0.5 CE1 B:HIS32 3.1 17.3 1.0 C13 B:6KI201 3.1 14.7 0.5 CD2 B:HIS32 3.1 14.8 1.0 CZ B:TYR75 3.2 17.1 1.0 C14 B:6KI201 3.3 17.2 0.5 C19 B:6KI201 3.3 17.8 0.5 C9 B:6KI201 3.4 15.0 0.5 C9 B:6KI201 3.4 14.6 0.5 C20 B:6KI201 3.4 14.5 0.5 C19 B:6KI201 3.4 15.4 0.5 C20 B:6KI201 3.4 15.0 0.5 C14 B:6KI201 3.4 16.9 0.5 CE1 B:TYR75 3.9 16.0 1.0 ND1 B:HIS83 3.9 14.8 1.0 CE2 B:TYR75 4.0 17.2 1.0 C1 B:6KI201 4.2 17.9 0.5 C2 B:6KI201 4.2 18.2 0.5 ND1 B:HIS32 4.2 16.4 1.0 C15 B:6KI201 4.2 15.3 0.5 C16 B:6KI201 4.2 16.4 0.5 C5 B:6KI201 4.2 19.5 0.5 CG B:HIS32 4.2 14.9 1.0 C11 B:6KI201 4.2 15.9 0.5 C6 B:6KI201 4.2 17.8 0.5 C1 B:6KI201 4.2 16.9 0.5 C16 B:6KI201 4.3 15.0 0.5 C15 B:6KI201 4.3 15.5 0.5 C2 B:6KI201 4.3 16.6 0.5 C10 B:6KI201 4.3 15.4 0.5 C6 B:6KI201 4.3 19.1 0.5 C5 B:6KI201 4.3 20.8 0.5 C11 B:6KI201 4.3 15.9 0.5 C10 B:6KI201 4.3 15.7 0.5 CE1 B:HIS83 4.5 15.4 1.0 CG B:HIS83 4.9 14.0 1.0

Cobalt binding site 4 out of 5 in the Crystal Structure of Hasap with Co-Octaethylporphyrin


Mono view


Stereo pair view

A full contact list of Cobalt with other atoms in the Co binding site number 4 of Crystal Structure of Hasap with Co-Octaethylporphyrin within 5.0Å range: probe atom residue distance (Å) B Occ B:Co201 b:14.8 occ:0.50 CO B:6KI201 0.0 14.8 0.5 CO B:6KI201 0.1 15.8 0.5 N3 B:6KI201 1.9 15.3 0.5 N1 B:6KI201 1.9 15.5 0.5 N2 B:6KI201 1.9 16.8 0.5 N4 B:6KI201 2.0 14.7 0.5 N4 B:6KI201 2.0 14.8 0.5 N3 B:6KI201 2.0 15.0 0.5 N2 B:6KI201 2.0 15.3 0.5 N1 B:6KI201 2.0 15.4 0.5 NE2 B:HIS32 2.1 15.5 1.0 OH B:TYR75 2.3 19.8 1.0 C12 B:6KI201 2.9 16.1 0.5 C8 B:6KI201 3.0 18.4 0.5 C3 B:6KI201 3.0 16.5 0.5 C4 B:6KI201 3.0 15.6 0.5 C13 B:6KI201 3.0 14.2 0.5 C17 B:6KI201 3.0 16.0 0.5 C17 B:6KI201 3.0 14.4 0.5 C7 B:6KI201 3.0 16.2 0.5 C18 B:6KI201 3.0 15.9 0.5 C12 B:6KI201 3.0 15.7 0.5 C8 B:6KI201 3.0 17.2 0.5 CE1 B:HIS32 3.0 17.3 1.0 C7 B:6KI201 3.0 15.3 0.5 C13 B:6KI201 3.0 14.7 0.5 C4 B:6KI201 3.0 15.2 0.5 C18 B:6KI201 3.0 15.1 0.5 C3 B:6KI201 3.1 15.8 0.5 CD2 B:HIS32 3.1 14.8 1.0 CZ B:TYR75 3.2 17.1 1.0 C14 B:6KI201 3.3 17.2 0.5 C20 B:6KI201 3.4 14.5 0.5 C19 B:6KI201 3.4 17.8 0.5 C20 B:6KI201 3.4 15.0 0.5 C9 B:6KI201 3.4 15.0 0.5 C14 B:6KI201 3.4 16.9 0.5 C9 B:6KI201 3.4 14.6 0.5 C19 B:6KI201 3.4 15.4 0.5 CE1 B:TYR75 3.9 16.0 1.0 CE2 B:TYR75 4.0 17.2 1.0 ND1 B:HIS83 4.0 14.8 1.0 ND1 B:HIS32 4.2 16.4 1.0 C11 B:6KI201 4.2 15.9 0.5 C1 B:6KI201 4.2 17.9 0.5 C5 B:6KI201 4.2 19.5 0.5 C2 B:6KI201 4.2 18.2 0.5 CG B:HIS32 4.2 14.9 1.0 C10 B:6KI201 4.2 15.4 0.5 C16 B:6KI201 4.2 16.4 0.5 C6 B:6KI201 4.2 17.8 0.5 C15 B:6KI201 4.2 15.3 0.5 C16 B:6KI201 4.3 15.0 0.5 C15 B:6KI201 4.3 15.5 0.5 C11 B:6KI201 4.3 15.9 0.5 C5 B:6KI201 4.3 20.8 0.5 C6 B:6KI201 4.3 19.1 0.5 C1 B:6KI201 4.3 16.9 0.5 C10 B:6KI201 4.3 15.7 0.5 C2 B:6KI201 4.3 16.6 0.5 CE1 B:HIS83 4.5 15.4 1.0 CG B:HIS83 4.9 14.0 1.0

Cobalt binding site 5 out of 5 in the Crystal Structure of Hasap with Co-Octaethylporphyrin


Mono view


Stereo pair view

A full contact list of Cobalt with other atoms in the Co binding site number 5 of Crystal Structure of Hasap with Co-Octaethylporphyrin within 5.0Å range: probe atom residue distance (Å) B Occ C:Co201 b:20.1 occ:1.00 CO C:6KI201 0.0 20.1 1.0 N1 C:6KI201 1.9 21.1 1.0 N2 C:6KI201 1.9 18.4 1.0 N4 C:6KI201 1.9 23.2 1.0 N3 C:6KI201 2.0 20.4 1.0 NE2 C:HIS32 2.1 20.6 1.0 OH C:TYR75 2.2 24.9 1.0 C17 C:6KI201 3.0 23.8 1.0 C8 C:6KI201 3.0 17.7 1.0 C4 C:6KI201 3.0 20.1 1.0 C18 C:6KI201 3.0 24.6 1.0 C3 C:6KI201 3.0 21.6 1.0 C7 C:6KI201 3.0 19.2 1.0 C13 C:6KI201 3.0 21.4 1.0 C12 C:6KI201 3.0 19.6 1.0 CE1 C:HIS32 3.0 21.7 1.0 CD2 C:HIS32 3.1 19.8 1.0 CZ C:TYR75 3.2 21.4 1.0 C14 C:6KI201 3.4 18.2 1.0 C20 C:6KI201 3.4 23.8 1.0 C19 C:6KI201 3.4 24.2 1.0 C9 C:6KI201 3.4 19.8 1.0 ND1 C:HIS83 3.9 22.3 1.0 CE2 C:TYR75 3.9 20.9 1.0 CE1 C:TYR75 3.9 21.0 1.0 ND1 C:HIS32 4.2 20.2 1.0 C16 C:6KI201 4.2 28.6 1.0 CG C:HIS32 4.2 19.2 1.0 C15 C:6KI201 4.2 27.9 1.0 C1 C:6KI201 4.2 21.0 1.0 C5 C:6KI201 4.2 19.3 1.0 C2 C:6KI201 4.2 21.6 1.0 C11 C:6KI201 4.3 21.4 1.0 C10 C:6KI201 4.3 21.6 1.0 C6 C:6KI201 4.3 19.7 1.0 CE1 C:HIS83 4.6 23.4 1.0 CG C:HIS83 4.7 20.2 1.0 CB C:HIS83 4.9 18.4 1.0

A.Takiguchi, E.Sakakibara, H.Sugimoto, O.Shoji, H.Shinokubo. Crystal Structure of Hasap with Co-Octaethylporphyrin To Be Published.