Cobalt in PDB 7emr: Crystal Structure of Hasap Capturing Cobalt Tetraphenylporphyrin

The structure of Crystal Structure of Hasap Capturing Cobalt Tetraphenylporphyrin, PDB code: 7emr was solved by Y.Shisaka, E.Sakakibara, H.Sugimoto, O.Shoji, with X-Ray Crystallography technique. A brief refinement statistics is given in the table below:

Resolution Low / High (Å)	20.00 / 1.55
Space group	P 41
Cell size a, b, c (Å), α, β, γ (°)	85.06, 85.06, 84.087, 90, 90, 90
R / Rfree (%)	13.2 / 16.4

The binding sites of Cobalt atom in the Crystal Structure of Hasap Capturing Cobalt Tetraphenylporphyrin (pdb code 7emr). This binding sites where shown within 5.0 Angstroms radius around Cobalt atom.
In total 3 binding sites of Cobalt where determined in the Crystal Structure of Hasap Capturing Cobalt Tetraphenylporphyrin, PDB code: 7emr:
Jump to Cobalt binding site number: 1; 2; 3;

Cobalt binding site 1 out of 3 in the Crystal Structure of Hasap Capturing Cobalt Tetraphenylporphyrin


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 Capturing Cobalt Tetraphenylporphyrin within 5.0Å range: probe atom residue distance (Å) B Occ A:Co201 b:19.2 occ:1.00 CO A:J83201 0.0 19.2 1.0 NAS A:J83201 2.0 19.5 1.0 NAI A:J83201 2.0 19.2 1.0 NAX A:J83201 2.0 20.3 1.0 NAN A:J83201 2.1 19.8 1.0 NE2 A:HIS32 2.1 18.5 1.0 OH A:TYR75 2.3 22.3 1.0 CAR A:J83201 3.0 19.3 1.0 CAO A:J83201 3.0 20.2 1.0 CAW A:J83201 3.0 19.9 1.0 CAT A:J83201 3.0 19.5 1.0 CAE A:J83201 3.0 20.2 1.0 CAM A:J83201 3.1 19.9 1.0 CAJ A:J83201 3.1 19.3 1.0 CAH A:J83201 3.1 20.6 1.0 CD2 A:HIS32 3.1 19.3 1.0 CE1 A:HIS32 3.1 22.3 1.0 CZ A:TYR75 3.2 21.5 1.0 CAC A:J83201 3.4 18.0 1.0 CAD A:J83201 3.4 19.7 1.0 CAB A:J83201 3.4 18.9 1.0 CAA A:J83201 3.4 18.6 1.0 CE1 A:TYR75 3.9 20.2 1.0 CE2 A:TYR75 3.9 19.7 1.0 ND1 A:HIS83 4.0 21.9 1.0 CAQ A:J83201 4.2 21.3 1.0 CAP A:J83201 4.2 20.3 1.0 CAV A:J83201 4.2 20.1 1.0 CAF A:J83201 4.2 19.8 1.0 CAU A:J83201 4.2 19.4 1.0 ND1 A:HIS32 4.2 21.2 1.0 CAK A:J83201 4.2 19.2 1.0 CAG A:J83201 4.2 19.3 1.0 CAL A:J83201 4.2 18.9 1.0 CG A:HIS32 4.2 18.8 1.0 CE1 A:HIS83 4.6 23.5 1.0 CBK A:J83201 4.9 19.9 1.0 CG A:HIS83 4.9 21.5 1.0 CBQ A:J83201 4.9 20.4 1.0 CBE A:J83201 4.9 21.4 1.0 CAY A:J83201 4.9 19.5 1.0

Cobalt binding site 2 out of 3 in the Crystal Structure of Hasap Capturing Cobalt Tetraphenylporphyrin


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 Capturing Cobalt Tetraphenylporphyrin within 5.0Å range: probe atom residue distance (Å) B Occ B:Co201 b:19.4 occ:1.00 CO B:J83201 0.0 19.4 1.0 NAX B:J83201 2.0 17.9 1.0 NAS B:J83201 2.0 19.6 1.0 NAN B:J83201 2.1 19.6 1.0 NAI B:J83201 2.1 19.0 1.0 NE2 B:HIS32 2.1 18.0 1.0 OH B:TYR75 2.3 19.7 1.0 CAR B:J83201 3.0 20.4 1.0 CAT B:J83201 3.0 19.8 1.0 CAO B:J83201 3.0 22.2 1.0 CAW B:J83201 3.0 19.7 1.0 CAM B:J83201 3.0 19.9 1.0 CAJ B:J83201 3.0 20.4 1.0 CAE B:J83201 3.1 19.4 1.0 CD2 B:HIS32 3.1 19.3 1.0 CAH B:J83201 3.1 20.6 1.0 CE1 B:HIS32 3.1 20.5 1.0 CZ B:TYR75 3.1 20.4 1.0 CAC B:J83201 3.4 18.0 1.0 CAB B:J83201 3.4 21.1 1.0 CAD B:J83201 3.4 18.8 1.0 CAA B:J83201 3.4 19.5 1.0 CE2 B:TYR75 3.9 18.8 1.0 CE1 B:TYR75 3.9 19.8 1.0 ND1 B:HIS83 4.0 21.7 1.0 CAP B:J83201 4.2 22.2 1.0 CAQ B:J83201 4.2 21.8 1.0 CAU B:J83201 4.2 18.6 1.0 CAV B:J83201 4.2 19.2 1.0 CAK B:J83201 4.2 20.3 1.0 CAL B:J83201 4.2 20.0 1.0 ND1 B:HIS32 4.2 21.8 1.0 CAF B:J83201 4.2 20.8 1.0 CG B:HIS32 4.2 18.5 1.0 CAG B:J83201 4.2 19.3 1.0 CG B:HIS83 4.7 21.1 1.0 CB B:HIS83 4.8 21.2 1.0 CE1 B:HIS83 4.8 24.3 1.0 CBK B:J83201 4.8 18.6 1.0 CBQ B:J83201 4.9 19.8 1.0 CBE B:J83201 4.9 23.9 1.0 CAY B:J83201 4.9 20.4 1.0

Cobalt binding site 3 out of 3 in the Crystal Structure of Hasap Capturing Cobalt Tetraphenylporphyrin


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 Capturing Cobalt Tetraphenylporphyrin within 5.0Å range: probe atom residue distance (Å) B Occ C:Co201 b:26.1 occ:1.00 CO C:J83201 0.0 26.1 1.0 NAI C:J83201 2.0 26.4 1.0 NAX C:J83201 2.0 25.5 1.0 NAS C:J83201 2.1 26.8 1.0 NAN C:J83201 2.1 27.7 1.0 NE2 C:HIS32 2.1 24.3 1.0 OH C:TYR75 2.3 30.6 1.0 CAH C:J83201 3.0 29.9 1.0 CAE C:J83201 3.0 26.0 1.0 CAW C:J83201 3.0 23.8 1.0 CAT C:J83201 3.0 25.3 1.0 CAR C:J83201 3.0 25.8 1.0 CAJ C:J83201 3.0 29.2 1.0 CAO C:J83201 3.0 26.6 1.0 CAM C:J83201 3.1 29.9 1.0 CD2 C:HIS32 3.1 27.1 1.0 CE1 C:HIS32 3.1 28.5 1.0 CZ C:TYR75 3.1 25.8 1.0 CAD C:J83201 3.4 24.4 1.0 CAA C:J83201 3.4 27.0 1.0 CAC C:J83201 3.4 23.5 1.0 CAB C:J83201 3.4 27.9 1.0 CE1 C:TYR75 3.8 23.7 1.0 CE2 C:TYR75 3.9 27.1 1.0 ND1 C:HIS83 4.1 23.3 1.0 CAG C:J83201 4.1 29.0 1.0 CAF C:J83201 4.1 28.4 1.0 CAV C:J83201 4.2 23.7 1.0 CAQ C:J83201 4.2 27.0 1.0 CAP C:J83201 4.2 26.5 1.0 CAU C:J83201 4.2 24.8 1.0 CAK C:J83201 4.2 30.8 1.0 CAL C:J83201 4.2 29.3 1.0 ND1 C:HIS32 4.2 27.8 1.0 CG C:HIS32 4.2 27.8 1.0 CE1 C:HIS83 4.8 25.6 1.0 CBQ C:J83201 4.8 23.4 1.0 CBK C:J83201 4.9 25.4 1.0 CAY C:J83201 4.9 29.7 1.0 CG C:HIS83 4.9 24.6 1.0 CBE C:J83201 4.9 33.5 1.0 CD1 C:TYR75 5.0 21.5 1.0

Y.Shisaka, E.Sakakibara, K.Suzuki, J.K.Stanfield, H.Onoda, G.Ueda, M.Hatano, H.Sugimoto, O.Shoji. Tetraphenylporphyrin Enters the Ring: First Example of A Complex Between Highly Bulky Porphyrins and A Protein. Chembiochem V. 23 00095 2022.
ISSN: ESSN 1439-7633
PubMed: 35352458
DOI: 10.1002/CBIC.202200095