Cobalt in PDB 7vf8: Crystal Structure of Hasap with Co-5-Octaethyloxaporphyrinium Cation

The structure of Crystal Structure of Hasap with Co-5-Octaethyloxaporphyrinium Cation, PDB code: 7vf8 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)	44.45 / 1.35
Space group	P 61
Cell size a, b, c (Å), α, β, γ (°)	153.84, 153.84, 37.751, 90, 90, 120
R / Rfree (%)	12.8 / 14.4

The binding sites of Cobalt atom in the Crystal Structure of Hasap with Co-5-Octaethyloxaporphyrinium Cation (pdb code 7vf8). This binding sites where shown within 5.0 Angstroms radius around Cobalt atom.
In total 4 binding sites of Cobalt where determined in the Crystal Structure of Hasap with Co-5-Octaethyloxaporphyrinium Cation, PDB code: 7vf8:
Jump to Cobalt binding site number: 1; 2; 3; 4;

Cobalt binding site 1 out of 4 in the Crystal Structure of Hasap with Co-5-Octaethyloxaporphyrinium Cation


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-5-Octaethyloxaporphyrinium Cation within 5.0Å range: probe atom residue distance (Å) B Occ A:Co201 b:9.6 occ:0.50 CO1 A:7KI201 0.0 9.6 0.5 CO1 A:7KI201 0.1 11.4 0.5 N2 A:7KI201 1.9 11.1 0.5 N3 A:7KI201 1.9 12.4 0.5 N1 A:7KI201 1.9 10.4 0.5 N3 A:7KI201 1.9 10.0 0.5 N4 A:7KI201 2.0 8.9 0.5 N2 A:7KI201 2.0 9.1 0.5 N4 A:7KI201 2.0 11.4 0.5 N1 A:7KI201 2.0 12.5 0.5 NE2 A:HIS32 2.1 11.2 1.0 OH A:TYR75 2.3 17.6 1.0 C8 A:7KI201 3.0 11.0 0.5 C12 A:7KI201 3.0 11.4 0.5 C12 A:7KI201 3.0 9.8 0.5 C3 A:7KI201 3.0 10.2 0.5 C7 A:7KI201 3.0 11.1 0.5 C4 A:7KI201 3.0 10.5 0.5 C13 A:7KI201 3.0 11.7 0.5 C8 A:7KI201 3.0 9.7 0.5 C13 A:7KI201 3.0 9.5 0.5 C16 A:7KI201 3.0 12.0 0.5 C4 A:7KI201 3.0 12.3 0.5 C17 A:7KI201 3.0 12.4 0.5 C16 A:7KI201 3.0 9.3 0.5 C17 A:7KI201 3.0 9.1 0.5 C7 A:7KI201 3.0 9.1 0.5 C3 A:7KI201 3.0 13.2 0.5 CE1 A:HIS32 3.1 11.7 1.0 CD2 A:HIS32 3.1 11.0 1.0 CZ A:TYR75 3.2 13.7 1.0 O1 A:7KI201 3.3 14.0 0.5 O1 A:7KI201 3.4 11.7 0.5 C9 A:7KI201 3.4 9.9 0.5 C9 A:7KI201 3.4 10.6 0.5 C19 A:7KI201 3.4 12.5 0.5 C18 A:7KI201 3.4 8.7 0.5 C18 A:7KI201 3.4 12.1 0.5 C19 A:7KI201 3.4 9.8 0.5 CE1 A:TYR75 3.9 13.6 1.0 ND1 A:HIS83 4.0 12.4 1.0 CE2 A:TYR75 4.0 13.4 1.0 ND1 A:HIS32 4.2 12.3 1.0 C11 A:7KI201 4.2 9.4 0.5 C11 A:7KI201 4.2 11.2 0.5 C10 A:7KI201 4.2 11.5 0.5 C5 A:7KI201 4.2 11.5 0.5 C6 A:7KI201 4.2 12.1 0.5 C2 A:7KI201 4.2 11.2 0.5 CG A:HIS32 4.2 11.6 1.0 C10 A:7KI201 4.2 9.7 0.5 C1 A:7KI201 4.2 11.2 0.5 C14 A:7KI201 4.2 13.8 0.5 C15 A:7KI201 4.2 13.3 0.5 C5 A:7KI201 4.2 10.7 0.5 C6 A:7KI201 4.3 9.8 0.5 C1 A:7KI201 4.3 13.8 0.5 C15 A:7KI201 4.3 10.6 0.5 C2 A:7KI201 4.3 13.9 0.5 C14 A:7KI201 4.3 9.9 0.5 CE1 A:HIS83 4.7 13.6 1.0 CG A:HIS83 4.7 11.4 1.0 CB A:HIS83 4.9 10.6 1.0

Cobalt binding site 2 out of 4 in the Crystal Structure of Hasap with Co-5-Octaethyloxaporphyrinium Cation


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-5-Octaethyloxaporphyrinium Cation within 5.0Å range: probe atom residue distance (Å) B Occ A:Co201 b:11.4 occ:0.50 CO1 A:7KI201 0.0 11.4 0.5 CO1 A:7KI201 0.1 9.6 0.5 N1 A:7KI201 1.9 10.4 0.5 N4 A:7KI201 1.9 8.9 0.5 N4 A:7KI201 1.9 11.4 0.5 N1 A:7KI201 1.9 12.5 0.5 N3 A:7KI201 2.0 12.4 0.5 N2 A:7KI201 2.0 11.1 0.5 N3 A:7KI201 2.0 10.0 0.5 N2 A:7KI201 2.0 9.1 0.5 NE2 A:HIS32 2.1 11.2 1.0 OH A:TYR75 2.2 17.6 1.0 C3 A:7KI201 2.9 10.2 0.5 C4 A:7KI201 3.0 10.5 0.5 C17 A:7KI201 3.0 9.1 0.5 C17 A:7KI201 3.0 12.4 0.5 C16 A:7KI201 3.0 12.0 0.5 C3 A:7KI201 3.0 13.2 0.5 C16 A:7KI201 3.0 9.3 0.5 C4 A:7KI201 3.0 12.3 0.5 C13 A:7KI201 3.0 11.7 0.5 C12 A:7KI201 3.0 11.4 0.5 C7 A:7KI201 3.0 11.1 0.5 C8 A:7KI201 3.0 11.0 0.5 C12 A:7KI201 3.0 9.8 0.5 C13 A:7KI201 3.0 9.5 0.5 C8 A:7KI201 3.0 9.7 0.5 C7 A:7KI201 3.0 9.1 0.5 CD2 A:HIS32 3.1 11.0 1.0 CE1 A:HIS32 3.1 11.7 1.0 CZ A:TYR75 3.2 13.7 1.0 C18 A:7KI201 3.3 8.7 0.5 C18 A:7KI201 3.3 12.1 0.5 O1 A:7KI201 3.4 14.0 0.5 C19 A:7KI201 3.4 12.5 0.5 C9 A:7KI201 3.4 9.9 0.5 C9 A:7KI201 3.4 10.6 0.5 C19 A:7KI201 3.4 9.8 0.5 O1 A:7KI201 3.4 11.7 0.5 CE1 A:TYR75 3.9 13.6 1.0 ND1 A:HIS83 3.9 12.4 1.0 CE2 A:TYR75 4.0 13.4 1.0 C2 A:7KI201 4.2 11.2 0.5 C14 A:7KI201 4.2 13.8 0.5 C15 A:7KI201 4.2 13.3 0.5 C1 A:7KI201 4.2 11.2 0.5 C14 A:7KI201 4.2 9.9 0.5 ND1 A:HIS32 4.2 12.3 1.0 C15 A:7KI201 4.2 10.6 0.5 C2 A:7KI201 4.2 13.9 0.5 C10 A:7KI201 4.2 11.5 0.5 C1 A:7KI201 4.2 13.8 0.5 C11 A:7KI201 4.2 9.4 0.5 C11 A:7KI201 4.2 11.2 0.5 CG A:HIS32 4.2 11.6 1.0 C10 A:7KI201 4.3 9.7 0.5 C6 A:7KI201 4.3 12.1 0.5 C5 A:7KI201 4.3 11.5 0.5 C5 A:7KI201 4.3 10.7 0.5 C6 A:7KI201 4.3 9.8 0.5 CE1 A:HIS83 4.6 13.6 1.0 CG A:HIS83 4.7 11.4 1.0 CB A:HIS83 4.8 10.6 1.0

Cobalt binding site 3 out of 4 in the Crystal Structure of Hasap with Co-5-Octaethyloxaporphyrinium Cation


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-5-Octaethyloxaporphyrinium Cation within 5.0Å range: probe atom residue distance (Å) B Occ B:Co201 b:17.2 occ:0.60 CO1 B:7KI201 0.0 17.2 0.6 CO1 B:7KI201 0.7 22.2 0.4 N3 B:7KI201 1.5 24.5 0.4 N1 B:7KI201 1.9 18.4 0.6 N3 B:7KI201 1.9 17.5 0.6 N4 B:7KI201 2.0 19.5 0.6 N2 B:7KI201 2.0 16.6 0.6 N2 B:7KI201 2.0 21.1 0.4 N4 B:7KI201 2.1 23.1 0.4 OH B:TYR75 2.2 26.2 1.0 NE2 B:HIS32 2.3 22.4 1.0 N1 B:7KI201 2.4 21.4 0.4 C12 B:7KI201 2.5 23.5 0.4 C13 B:7KI201 2.6 24.1 0.4 C8 B:7KI201 2.8 20.4 0.4 C16 B:7KI201 2.9 24.4 0.4 C7 B:7KI201 3.0 19.1 0.6 C4 B:7KI201 3.0 18.0 0.6 C17 B:7KI201 3.0 23.0 0.6 C16 B:7KI201 3.0 21.1 0.6 C3 B:7KI201 3.0 20.2 0.6 C12 B:7KI201 3.0 17.9 0.6 C13 B:7KI201 3.0 19.4 0.6 O1 B:7KI201 3.0 23.7 0.4 C8 B:7KI201 3.0 17.6 0.6 CZ B:TYR75 3.0 21.1 1.0 C19 B:7KI201 3.1 23.6 0.4 C7 B:7KI201 3.1 19.2 0.4 CE1 B:HIS32 3.2 25.3 1.0 C17 B:7KI201 3.2 25.2 0.4 CD2 B:HIS32 3.3 22.5 1.0 C19 B:7KI201 3.4 19.0 0.6 C18 B:7KI201 3.4 20.1 0.6 C9 B:7KI201 3.4 16.9 0.6 O1 B:7KI201 3.4 20.2 0.6 C4 B:7KI201 3.4 22.0 0.4 C3 B:7KI201 3.5 23.4 0.4 C9 B:7KI201 3.6 19.8 0.4 C11 B:7KI201 3.7 24.5 0.4 C10 B:7KI201 3.7 24.9 0.4 C18 B:7KI201 3.8 22.9 0.4 CE2 B:TYR75 3.8 20.2 1.0 CE1 B:TYR75 3.8 20.0 1.0 ND1 B:HIS83 4.0 20.7 1.0 C5 B:7KI201 4.1 19.2 0.4 C15 B:7KI201 4.2 26.5 0.4 C6 B:7KI201 4.2 21.4 0.6 C10 B:7KI201 4.2 19.3 0.6 C15 B:7KI201 4.2 25.8 0.6 C2 B:7KI201 4.2 20.7 0.6 C1 B:7KI201 4.2 20.4 0.6 C11 B:7KI201 4.2 18.0 0.6 C14 B:7KI201 4.2 25.8 0.6 C5 B:7KI201 4.2 20.9 0.6 C6 B:7KI201 4.2 17.3 0.4 ND1 B:HIS32 4.3 25.2 1.0 C14 B:7KI201 4.4 26.0 0.4 CG B:HIS32 4.4 21.8 1.0 CE1 B:HIS83 4.6 22.1 1.0 C1 B:7KI201 4.7 23.9 0.4 C2 B:7KI201 4.7 24.6 0.4 CG B:HIS83 4.9 19.0 1.0 CD2 B:TYR75 5.0 18.3 1.0 CD1 B:TYR75 5.0 18.0 1.0 C34 B:7KI201 5.0 26.7 0.4

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


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-5-Octaethyloxaporphyrinium Cation within 5.0Å range: probe atom residue distance (Å) B Occ B:Co201 b:22.2 occ:0.40 CO1 B:7KI201 0.0 22.2 0.4 CO1 B:7KI201 0.7 17.2 0.6 N1 B:7KI201 1.5 18.4 0.6 NE2 B:HIS32 1.9 22.4 1.0 N1 B:7KI201 1.9 21.4 0.4 N4 B:7KI201 1.9 23.1 0.4 N3 B:7KI201 1.9 24.5 0.4 N2 B:7KI201 2.0 21.1 0.4 N4 B:7KI201 2.0 19.5 0.6 N2 B:7KI201 2.1 16.6 0.6 N3 B:7KI201 2.5 17.5 0.6 C3 B:7KI201 2.5 20.2 0.6 C4 B:7KI201 2.6 18.0 0.6 OH B:TYR75 2.7 26.2 1.0 C17 B:7KI201 2.8 23.0 0.6 CD2 B:HIS32 2.8 22.5 1.0 C18 B:7KI201 2.9 20.1 0.6 C7 B:7KI201 2.9 19.1 0.6 C3 B:7KI201 2.9 23.4 0.4 C4 B:7KI201 3.0 22.0 0.4 C12 B:7KI201 3.0 23.5 0.4 C17 B:7KI201 3.0 25.2 0.4 C16 B:7KI201 3.0 24.4 0.4 C8 B:7KI201 3.0 20.4 0.4 C13 B:7KI201 3.0 24.1 0.4 C7 B:7KI201 3.0 19.2 0.4 CE1 B:HIS32 3.0 25.3 1.0 C9 B:7KI201 3.1 16.9 0.6 C16 B:7KI201 3.2 21.1 0.6 C8 B:7KI201 3.3 17.6 0.6 O1 B:7KI201 3.3 23.7 0.4 C18 B:7KI201 3.3 22.9 0.4 C9 B:7KI201 3.3 19.8 0.4 C19 B:7KI201 3.4 23.6 0.4 C13 B:7KI201 3.5 19.4 0.6 C12 B:7KI201 3.5 17.9 0.6 CZ B:TYR75 3.6 21.1 1.0 C2 B:7KI201 3.7 20.7 0.6 C19 B:7KI201 3.8 19.0 0.6 C1 B:7KI201 3.8 20.4 0.6 O1 B:7KI201 3.8 20.2 0.6 CG B:HIS32 4.0 21.8 1.0 ND1 B:HIS32 4.0 25.2 1.0 ND1 B:HIS83 4.1 20.7 1.0 C14 B:7KI201 4.1 25.8 0.6 C2 B:7KI201 4.2 24.6 0.4 C1 B:7KI201 4.2 23.9 0.4 C14 B:7KI201 4.2 26.0 0.4 C15 B:7KI201 4.2 26.5 0.4 CE1 B:TYR75 4.2 20.0 1.0 C11 B:7KI201 4.2 24.5 0.4 C10 B:7KI201 4.2 24.9 0.4 C6 B:7KI201 4.2 17.3 0.4 C5 B:7KI201 4.3 19.2 0.4 C6 B:7KI201 4.3 21.4 0.6 C15 B:7KI201 4.3 25.8 0.6 CE2 B:TYR75 4.4 20.2 1.0 C5 B:7KI201 4.4 20.9 0.6 CE1 B:HIS83 4.7 22.1 1.0 C10 B:7KI201 4.7 19.3 0.6 C11 B:7KI201 4.8 18.0 0.6 CG B:HIS83 4.9 19.0 1.0 CG2 B:VAL37 5.0 34.6 1.0

A.Takiguchi, E.Sakakibara, H.Sugimoto, O.Shoji, H.Shinokubo. Crystal Structure of Hasap with Co-5-Octaethyloxaporphyrinium Cation To Be Published.