Cobalt in PDB 6jlg: Crystal Structure of Hasap with Co-9,10,19,20-Tetraphenylporphycene

The structure of Crystal Structure of Hasap with Co-9,10,19,20-Tetraphenylporphycene, PDB code: 6jlg was solved by E.Sakakibara, Y.Shisaka, H.Onoda, H.Sugimoto, Y.Shiro, Y.Watanabe, O.Shoji, with X-Ray Crystallography technique. A brief refinement statistics is given in the table below:

Resolution Low / High (Å)	45.79 / 2.50
Space group	C 1 2 1
Cell size a, b, c (Å), α, β, γ (°)	237.580, 92.221, 93.195, 90.00, 100.96, 90.00
R / Rfree (%)	21.3 / 24.1

The binding sites of Cobalt atom in the Crystal Structure of Hasap with Co-9,10,19,20-Tetraphenylporphycene (pdb code 6jlg). This binding sites where shown within 5.0 Angstroms radius around Cobalt atom.
In total 8 binding sites of Cobalt where determined in the Crystal Structure of Hasap with Co-9,10,19,20-Tetraphenylporphycene, PDB code: 6jlg:
Jump to Cobalt binding site number: 1; 2; 3; 4; 5; 6; 7; 8;

Cobalt binding site 1 out of 8 in the Crystal Structure of Hasap with Co-9,10,19,20-Tetraphenylporphycene


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-9,10,19,20-Tetraphenylporphycene within 5.0Å range: probe atom residue distance (Å) B Occ A:Co201 b:27.6 occ:1.00 CO A:BWU201 0.0 27.6 1.0 N3 A:BWU201 1.7 29.6 1.0 N4 A:BWU201 1.8 31.8 1.0 N2 A:BWU201 1.8 35.4 1.0 N1 A:BWU201 1.9 30.4 1.0 NE2 A:HIS32 2.1 31.2 1.0 C40 A:BWU201 2.3 27.8 1.0 C42 A:BWU201 2.3 27.1 1.0 OH A:TYR75 2.4 28.8 1.0 C36 A:BWU201 2.4 33.9 1.0 C30 A:BWU201 2.4 33.5 1.0 C39 A:BWU201 3.0 28.9 1.0 CE1 A:HIS32 3.0 32.6 1.0 CD2 A:HIS32 3.1 32.7 1.0 C33 A:BWU201 3.1 34.4 1.0 C43 A:BWU201 3.1 30.9 1.0 C29 A:BWU201 3.2 30.0 1.0 CZ A:TYR75 3.2 31.2 1.0 C37 A:BWU201 3.6 27.2 1.0 C41 A:BWU201 3.6 27.4 1.0 C35 A:BWU201 3.7 31.9 1.0 C31 A:BWU201 3.7 33.4 1.0 CE1 A:TYR75 3.9 29.7 1.0 C38 A:BWU201 3.9 27.8 1.0 C26 A:BWU201 3.9 31.3 1.0 CE2 A:TYR75 4.0 33.1 1.0 C25 A:BWU201 4.0 32.4 1.0 ND1 A:HIS83 4.0 40.7 1.0 C44 A:BWU201 4.0 29.4 1.0 C28 A:BWU201 4.0 31.5 1.0 C27 A:BWU201 4.0 31.1 1.0 C34 A:BWU201 4.1 32.2 1.0 C32 A:BWU201 4.1 31.8 1.0 ND1 A:HIS32 4.2 34.0 1.0 CG A:HIS32 4.2 31.1 1.0 CE1 A:HIS83 4.8 42.9 1.0 CG A:HIS83 4.9 34.3 1.0 CB A:HIS83 5.0 31.4 1.0

Cobalt binding site 2 out of 8 in the Crystal Structure of Hasap with Co-9,10,19,20-Tetraphenylporphycene


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-9,10,19,20-Tetraphenylporphycene within 5.0Å range: probe atom residue distance (Å) B Occ B:Co201 b:28.2 occ:1.00 CO B:BWU201 0.0 28.2 1.0 N4 B:BWU201 1.7 28.9 1.0 N3 B:BWU201 1.8 29.5 1.0 N1 B:BWU201 1.8 31.7 1.0 N2 B:BWU201 1.9 29.8 1.0 NE2 B:HIS32 2.1 30.6 1.0 C42 B:BWU201 2.2 26.7 1.0 C40 B:BWU201 2.3 28.1 1.0 C30 B:BWU201 2.4 33.4 1.0 OH B:TYR75 2.4 33.4 1.0 C36 B:BWU201 2.4 31.3 1.0 C43 B:BWU201 3.0 30.9 1.0 CE1 B:HIS32 3.0 32.0 1.0 CD2 B:HIS32 3.1 32.1 1.0 C29 B:BWU201 3.1 30.9 1.0 C39 B:BWU201 3.1 28.8 1.0 C33 B:BWU201 3.2 31.4 1.0 CZ B:TYR75 3.2 33.9 1.0 C41 B:BWU201 3.6 26.8 1.0 C37 B:BWU201 3.6 28.1 1.0 C31 B:BWU201 3.7 31.3 1.0 C35 B:BWU201 3.8 30.7 1.0 CE1 B:TYR75 3.9 31.3 1.0 C44 B:BWU201 3.9 30.0 1.0 C28 B:BWU201 3.9 30.8 1.0 C27 B:BWU201 4.0 31.0 1.0 C38 B:BWU201 4.0 27.7 1.0 ND1 B:HIS83 4.0 40.0 1.0 CE2 B:TYR75 4.0 33.8 1.0 C32 B:BWU201 4.0 32.3 1.0 C26 B:BWU201 4.0 30.7 1.0 C25 B:BWU201 4.1 31.3 1.0 C34 B:BWU201 4.1 30.2 1.0 ND1 B:HIS32 4.2 31.1 1.0 CG B:HIS32 4.2 31.9 1.0 CE1 B:HIS83 4.7 42.0 1.0 CG B:HIS83 4.9 33.6 1.0

Cobalt binding site 3 out of 8 in the Crystal Structure of Hasap with Co-9,10,19,20-Tetraphenylporphycene


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-9,10,19,20-Tetraphenylporphycene within 5.0Å range: probe atom residue distance (Å) B Occ C:Co201 b:32.1 occ:1.00 CO C:BWU201 0.0 32.1 1.0 N4 C:BWU201 1.8 36.5 1.0 N3 C:BWU201 1.8 38.7 1.0 N1 C:BWU201 1.8 33.7 1.0 N2 C:BWU201 1.9 30.3 1.0 NE2 C:HIS32 2.0 35.0 1.0 OH C:TYR75 2.2 31.8 1.0 C42 C:BWU201 2.3 32.6 1.0 C40 C:BWU201 2.3 34.4 1.0 C30 C:BWU201 2.4 34.1 1.0 C36 C:BWU201 2.4 31.5 1.0 CD2 C:HIS32 2.9 38.2 1.0 CE1 C:HIS32 3.0 36.8 1.0 C43 C:BWU201 3.1 34.9 1.0 C29 C:BWU201 3.1 31.1 1.0 C39 C:BWU201 3.1 35.0 1.0 C33 C:BWU201 3.2 33.5 1.0 CZ C:TYR75 3.2 38.5 1.0 C41 C:BWU201 3.6 32.2 1.0 C37 C:BWU201 3.7 33.6 1.0 C31 C:BWU201 3.7 31.6 1.0 C35 C:BWU201 3.7 32.0 1.0 CE1 C:TYR75 3.9 38.3 1.0 CE2 C:TYR75 3.9 37.6 1.0 C28 C:BWU201 4.0 34.4 1.0 C44 C:BWU201 4.0 33.4 1.0 C27 C:BWU201 4.0 32.0 1.0 C38 C:BWU201 4.0 35.5 1.0 C26 C:BWU201 4.0 36.9 1.0 C25 C:BWU201 4.0 35.5 1.0 C32 C:BWU201 4.0 30.7 1.0 ND1 C:HIS32 4.1 37.3 1.0 CG C:HIS32 4.1 37.2 1.0 C34 C:BWU201 4.1 33.5 1.0 ND1 C:HIS83 4.1 34.8 1.0 CG C:HIS83 4.8 33.4 1.0 CB C:HIS83 4.8 33.1 1.0 CE1 C:HIS83 4.9 32.6 1.0

Cobalt binding site 4 out of 8 in the Crystal Structure of Hasap with Co-9,10,19,20-Tetraphenylporphycene


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-9,10,19,20-Tetraphenylporphycene within 5.0Å range: probe atom residue distance (Å) B Occ D:Co201 b:30.6 occ:1.00 CO D:BWU201 0.0 30.6 1.0 N3 D:BWU201 1.7 35.6 1.0 N2 D:BWU201 1.8 29.1 1.0 N4 D:BWU201 1.9 30.4 1.0 N1 D:BWU201 1.9 31.0 1.0 NE2 D:HIS32 2.0 37.0 1.0 OH D:TYR75 2.2 31.6 1.0 C40 D:BWU201 2.3 31.7 1.0 C42 D:BWU201 2.3 30.4 1.0 C36 D:BWU201 2.4 29.4 1.0 C30 D:BWU201 2.4 31.0 1.0 CD2 D:HIS32 3.0 38.7 1.0 CE1 D:HIS32 3.0 39.6 1.0 C39 D:BWU201 3.1 35.5 1.0 CZ D:TYR75 3.1 33.9 1.0 C33 D:BWU201 3.1 32.5 1.0 C43 D:BWU201 3.2 31.7 1.0 C29 D:BWU201 3.2 28.6 1.0 C37 D:BWU201 3.6 30.8 1.0 C35 D:BWU201 3.7 28.7 1.0 C41 D:BWU201 3.7 29.2 1.0 C31 D:BWU201 3.7 30.6 1.0 CE1 D:TYR75 3.8 36.6 1.0 CE2 D:TYR75 3.9 32.2 1.0 C26 D:BWU201 3.9 37.8 1.0 C38 D:BWU201 4.0 33.4 1.0 C25 D:BWU201 4.0 35.8 1.0 C34 D:BWU201 4.0 30.3 1.0 C27 D:BWU201 4.0 29.1 1.0 C44 D:BWU201 4.1 31.2 1.0 C28 D:BWU201 4.1 31.9 1.0 C32 D:BWU201 4.1 29.2 1.0 ND1 D:HIS32 4.1 38.2 1.0 ND1 D:HIS83 4.1 29.8 1.0 CG D:HIS32 4.1 38.5 1.0 CB D:HIS83 4.7 29.5 1.0 CG D:HIS83 4.8 29.0 1.0 CE1 D:HIS83 4.9 30.7 1.0

Cobalt binding site 5 out of 8 in the Crystal Structure of Hasap with Co-9,10,19,20-Tetraphenylporphycene


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-9,10,19,20-Tetraphenylporphycene within 5.0Å range: probe atom residue distance (Å) B Occ E:Co201 b:28.7 occ:1.00 CO E:BWU201 0.0 28.7 1.0 N3 E:BWU201 1.7 30.2 1.0 N2 E:BWU201 1.8 28.8 1.0 N4 E:BWU201 1.8 25.1 1.0 NE2 E:HIS32 1.9 30.8 1.0 N1 E:BWU201 1.9 27.9 1.0 OH E:TYR75 2.2 32.3 1.0 C40 E:BWU201 2.2 27.7 1.0 C42 E:BWU201 2.3 25.9 1.0 C36 E:BWU201 2.4 27.0 1.0 C30 E:BWU201 2.5 26.8 1.0 CD2 E:HIS32 2.9 31.5 1.0 CE1 E:HIS32 2.9 30.8 1.0 C39 E:BWU201 3.0 29.0 1.0 CZ E:TYR75 3.1 35.3 1.0 C33 E:BWU201 3.1 32.1 1.0 C43 E:BWU201 3.2 25.4 1.0 C29 E:BWU201 3.2 25.9 1.0 C37 E:BWU201 3.6 26.5 1.0 C41 E:BWU201 3.6 26.5 1.0 C35 E:BWU201 3.8 26.8 1.0 C31 E:BWU201 3.8 26.8 1.0 CE2 E:TYR75 3.8 35.1 1.0 CE1 E:TYR75 3.9 37.5 1.0 C38 E:BWU201 3.9 28.5 1.0 C26 E:BWU201 3.9 31.4 1.0 C25 E:BWU201 3.9 32.9 1.0 ND1 E:HIS32 4.0 32.0 1.0 CG E:HIS32 4.0 31.1 1.0 C44 E:BWU201 4.0 26.6 1.0 C34 E:BWU201 4.1 29.7 1.0 C28 E:BWU201 4.1 27.0 1.0 C27 E:BWU201 4.1 26.1 1.0 ND1 E:HIS83 4.1 29.2 1.0 C32 E:BWU201 4.1 26.2 1.0 CB E:HIS83 4.8 29.1 1.0 CG E:HIS83 4.8 29.4 1.0 CE1 E:HIS83 4.9 29.5 1.0

Cobalt binding site 6 out of 8 in the Crystal Structure of Hasap with Co-9,10,19,20-Tetraphenylporphycene


Mono view


Stereo pair view

A full contact list of Cobalt with other atoms in the Co binding site number 6 of Crystal Structure of Hasap with Co-9,10,19,20-Tetraphenylporphycene within 5.0Å range: probe atom residue distance (Å) B Occ F:Co201 b:45.1 occ:1.00 CO F:BWU201 0.0 45.1 1.0 N3 F:BWU201 1.8 42.2 1.0 N1 F:BWU201 1.8 40.0 1.0 N4 F:BWU201 1.8 43.7 1.0 N2 F:BWU201 1.9 40.5 1.0 NE2 F:HIS32 1.9 40.9 1.0 C40 F:BWU201 2.3 40.8 1.0 C42 F:BWU201 2.3 38.9 1.0 C30 F:BWU201 2.3 39.4 1.0 C36 F:BWU201 2.4 38.9 1.0 OH F:TYR75 2.4 49.5 1.0 CE1 F:HIS32 2.9 40.7 1.0 CD2 F:HIS32 3.0 42.2 1.0 C39 F:BWU201 3.1 40.2 1.0 C29 F:BWU201 3.1 38.8 1.0 C43 F:BWU201 3.1 40.8 1.0 C33 F:BWU201 3.2 41.3 1.0 CZ F:TYR75 3.3 47.4 1.0 C37 F:BWU201 3.6 39.9 1.0 C41 F:BWU201 3.6 38.6 1.0 C31 F:BWU201 3.7 40.6 1.0 C35 F:BWU201 3.7 38.1 1.0 ND1 F:HIS83 3.9 53.6 1.0 CE1 F:TYR75 3.9 48.0 1.0 C38 F:BWU201 4.0 40.5 1.0 C44 F:BWU201 4.0 39.1 1.0 C27 F:BWU201 4.0 38.0 1.0 C32 F:BWU201 4.0 40.3 1.0 C28 F:BWU201 4.0 39.1 1.0 C26 F:BWU201 4.0 40.3 1.0 ND1 F:HIS32 4.0 39.1 1.0 C25 F:BWU201 4.0 42.3 1.0 CE2 F:TYR75 4.0 46.5 1.0 C34 F:BWU201 4.1 38.8 1.0 CG F:HIS32 4.1 40.7 1.0 CE1 F:HIS83 4.7 53.9 1.0 CG F:HIS83 4.9 52.2 1.0 CB F:HIS83 5.0 51.9 1.0

Cobalt binding site 7 out of 8 in the Crystal Structure of Hasap with Co-9,10,19,20-Tetraphenylporphycene


Mono view


Stereo pair view

A full contact list of Cobalt with other atoms in the Co binding site number 7 of Crystal Structure of Hasap with Co-9,10,19,20-Tetraphenylporphycene within 5.0Å range: probe atom residue distance (Å) B Occ G:Co201 b:28.5 occ:1.00 CO G:BWU201 0.0 28.5 1.0 N3 G:BWU201 1.8 33.2 1.0 N4 G:BWU201 1.8 30.1 1.0 N1 G:BWU201 1.9 29.7 1.0 N2 G:BWU201 1.9 32.5 1.0 NE2 G:HIS32 2.0 40.9 1.0 OH G:TYR75 2.2 32.4 1.0 C40 G:BWU201 2.3 30.1 1.0 C42 G:BWU201 2.3 28.4 1.0 C30 G:BWU201 2.4 28.3 1.0 C36 G:BWU201 2.4 28.9 1.0 CD2 G:HIS32 2.9 41.9 1.0 CE1 G:HIS32 3.0 42.0 1.0 CZ G:TYR75 3.1 31.3 1.0 C39 G:BWU201 3.1 32.3 1.0 C43 G:BWU201 3.1 30.4 1.0 C33 G:BWU201 3.1 34.9 1.0 C29 G:BWU201 3.1 27.9 1.0 C37 G:BWU201 3.6 29.3 1.0 C41 G:BWU201 3.6 29.5 1.0 C31 G:BWU201 3.7 28.9 1.0 C35 G:BWU201 3.7 30.3 1.0 CE2 G:TYR75 3.8 31.1 1.0 CE1 G:TYR75 3.8 32.4 1.0 C38 G:BWU201 4.0 31.3 1.0 C26 G:BWU201 4.0 34.7 1.0 C44 G:BWU201 4.0 29.4 1.0 C28 G:BWU201 4.0 31.2 1.0 C25 G:BWU201 4.0 36.2 1.0 C27 G:BWU201 4.0 29.4 1.0 CG G:HIS32 4.0 40.1 1.0 C32 G:BWU201 4.1 28.1 1.0 C34 G:BWU201 4.1 33.4 1.0 ND1 G:HIS32 4.1 41.2 1.0 ND1 G:HIS83 4.1 30.4 1.0 CB G:HIS83 4.8 32.6 1.0 CG G:HIS83 4.8 31.1 1.0 CE1 G:HIS83 5.0 30.5 1.0 CD2 G:TYR75 5.0 29.8 1.0

Cobalt binding site 8 out of 8 in the Crystal Structure of Hasap with Co-9,10,19,20-Tetraphenylporphycene


Mono view


Stereo pair view

A full contact list of Cobalt with other atoms in the Co binding site number 8 of Crystal Structure of Hasap with Co-9,10,19,20-Tetraphenylporphycene within 5.0Å range: probe atom residue distance (Å) B Occ H:Co201 b:44.4 occ:1.00 CO H:BWU201 0.0 44.4 1.0 N1 H:BWU201 1.8 42.2 1.0 N4 H:BWU201 1.8 39.5 1.0 N3 H:BWU201 1.8 42.2 1.0 N2 H:BWU201 1.8 38.9 1.0 NE2 H:HIS32 1.9 42.0 1.0 C30 H:BWU201 2.3 41.3 1.0 C40 H:BWU201 2.3 40.2 1.0 C42 H:BWU201 2.3 38.5 1.0 C36 H:BWU201 2.3 39.8 1.0 OH H:TYR75 2.4 51.2 1.0 CD2 H:HIS32 2.9 40.8 1.0 CE1 H:HIS32 2.9 40.4 1.0 C29 H:BWU201 3.1 40.7 1.0 C43 H:BWU201 3.1 40.6 1.0 C39 H:BWU201 3.1 39.8 1.0 C33 H:BWU201 3.2 40.1 1.0 CZ H:TYR75 3.2 43.8 1.0 C31 H:BWU201 3.6 42.2 1.0 C41 H:BWU201 3.7 37.6 1.0 C37 H:BWU201 3.7 39.9 1.0 C35 H:BWU201 3.7 39.9 1.0 CE1 H:TYR75 3.9 43.0 1.0 ND1 H:HIS83 3.9 56.6 1.0 C32 H:BWU201 4.0 44.1 1.0 C27 H:BWU201 4.0 41.1 1.0 C28 H:BWU201 4.0 39.9 1.0 C44 H:BWU201 4.0 38.7 1.0 C38 H:BWU201 4.0 40.9 1.0 CE2 H:TYR75 4.0 42.1 1.0 C26 H:BWU201 4.0 40.7 1.0 C25 H:BWU201 4.0 40.2 1.0 ND1 H:HIS32 4.0 41.3 1.0 C34 H:BWU201 4.0 38.6 1.0 CG H:HIS32 4.1 40.8 1.0 CE1 H:HIS83 4.8 55.6 1.0 CG H:HIS83 4.8 51.3 1.0 CB H:HIS83 4.9 48.5 1.0

E.Sakakibara, Y.Shisaka, H.Onoda, D.Koga, N.Xu, T.Ono, Y.Hisaeda, H.Sugimoto, Y.Shiro, Y.Watanabe, O.Shoji. Highly Malleable Haem-Binding Site of the Haemoprotein Hasa Permits Stable Accommodation of Bulky Tetraphenylporphycenes. Rsc Adv V. 9 18697 2019.
ISSN: ESSN 2046-2069
DOI: 10.1039/C9RA02872B