Chromium in PDB 7emp: Crystal Structure of Hasap Capturing Chromium Tetraphenylporphyrin

The structure of Crystal Structure of Hasap Capturing Chromium Tetraphenylporphyrin, PDB code: 7emp 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 / 1.50
Space group	P 41
Cell size a, b, c (Å), α, β, γ (°)	84.956, 84.956, 84.452, 90, 90, 90
R / Rfree (%)	12.5 / 16.5

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

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


Mono view


Stereo pair view

A full contact list of Chromium with other atoms in the Cr binding site number 1 of Crystal Structure of Hasap Capturing Chromium Tetraphenylporphyrin within 5.0Å range: probe atom residue distance (Å) B Occ A:Cr201 b:12.0 occ:1.00 CR A:J7U201 0.0 12.0 1.0 OH A:TYR75 2.0 8.4 1.0 NAX A:J7U201 2.1 13.4 1.0 NAS A:J7U201 2.1 13.7 1.0 NAN A:J7U201 2.1 13.7 1.0 NAI A:J7U201 2.1 13.5 1.0 NE2 A:HIS32 2.1 6.7 1.0 CZ A:TYR75 3.0 9.6 1.0 CAR A:J7U201 3.0 14.9 1.0 CAT A:J7U201 3.0 16.1 1.0 CAO A:J7U201 3.1 15.6 1.0 CAW A:J7U201 3.1 16.3 1.0 CAJ A:J7U201 3.1 15.2 1.0 CE1 A:HIS32 3.1 11.8 1.0 CAM A:J7U201 3.1 14.4 1.0 CAE A:J7U201 3.1 15.1 1.0 CAH A:J7U201 3.1 15.7 1.0 CD2 A:HIS32 3.1 10.4 1.0 CAC A:J7U201 3.4 11.6 1.0 CAD A:J7U201 3.4 11.4 1.0 CAB A:J7U201 3.4 12.3 1.0 CAA A:J7U201 3.4 11.4 1.0 CE1 A:TYR75 3.7 9.3 1.0 CE2 A:TYR75 3.8 9.3 1.0 ND1 A:HIS83 3.9 9.7 1.0 ND1 A:HIS32 4.2 12.4 1.0 CAU A:J7U201 4.2 13.3 1.0 CAQ A:J7U201 4.2 14.2 1.0 CAP A:J7U201 4.2 13.7 1.0 CAV A:J7U201 4.2 12.8 1.0 CAK A:J7U201 4.2 12.8 1.0 CAG A:J7U201 4.2 13.7 1.0 CG A:HIS32 4.2 9.9 1.0 CAF A:J7U201 4.2 13.4 1.0 CAL A:J7U201 4.2 13.0 1.0 CE1 A:HIS83 4.6 11.9 1.0 CG A:HIS83 4.8 11.1 1.0 CBK A:J7U201 4.9 13.6 1.0 CD1 A:TYR75 4.9 9.7 1.0 CBQ A:J7U201 4.9 13.9 1.0 CBE A:J7U201 4.9 14.2 1.0 CD2 A:TYR75 4.9 9.7 1.0 CAY A:J7U201 4.9 13.9 1.0 CB A:HIS83 5.0 12.1 1.0

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


Mono view


Stereo pair view

A full contact list of Chromium with other atoms in the Cr binding site number 2 of Crystal Structure of Hasap Capturing Chromium Tetraphenylporphyrin within 5.0Å range: probe atom residue distance (Å) B Occ B:Cr201 b:13.0 occ:1.00 CR B:J7U201 0.0 13.0 1.0 NAS B:J7U201 2.1 14.3 1.0 OH B:TYR75 2.1 9.0 1.0 NAN B:J7U201 2.1 14.1 1.0 NAX B:J7U201 2.1 13.8 1.0 NE2 B:HIS32 2.1 8.6 1.0 NAI B:J7U201 2.1 13.7 1.0 CZ B:TYR75 3.0 10.7 1.0 CAR B:J7U201 3.0 15.9 1.0 CAT B:J7U201 3.0 16.5 1.0 CAM B:J7U201 3.1 15.7 1.0 CAO B:J7U201 3.1 15.7 1.0 CAJ B:J7U201 3.1 16.6 1.0 CAW B:J7U201 3.1 16.1 1.0 CAE B:J7U201 3.1 15.6 1.0 CE1 B:HIS32 3.1 10.9 1.0 CAH B:J7U201 3.1 16.2 1.0 CD2 B:HIS32 3.1 11.1 1.0 CAC B:J7U201 3.4 12.7 1.0 CAD B:J7U201 3.4 12.9 1.0 CAB B:J7U201 3.4 14.4 1.0 CAA B:J7U201 3.4 12.1 1.0 CE1 B:TYR75 3.7 9.4 1.0 CE2 B:TYR75 3.7 10.1 1.0 ND1 B:HIS83 3.8 10.4 1.0 CAK B:J7U201 4.2 14.3 1.0 CAQ B:J7U201 4.2 15.0 1.0 ND1 B:HIS32 4.2 12.7 1.0 CAL B:J7U201 4.2 13.8 1.0 CAU B:J7U201 4.2 13.1 1.0 CAP B:J7U201 4.2 16.6 1.0 CAV B:J7U201 4.2 13.0 1.0 CAF B:J7U201 4.2 14.0 1.0 CG B:HIS32 4.2 10.8 1.0 CAG B:J7U201 4.3 13.5 1.0 CE1 B:HIS83 4.6 12.4 1.0 CG B:HIS83 4.7 11.8 1.0 CB B:HIS83 4.8 11.1 1.0 CBK B:J7U201 4.9 13.6 1.0 CBQ B:J7U201 4.9 14.8 1.0 CBE B:J7U201 4.9 17.2 1.0 CD2 B:TYR75 4.9 11.1 1.0 CD1 B:TYR75 4.9 9.1 1.0 CAY B:J7U201 4.9 13.6 1.0

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


Mono view


Stereo pair view

A full contact list of Chromium with other atoms in the Cr binding site number 3 of Crystal Structure of Hasap Capturing Chromium Tetraphenylporphyrin within 5.0Å range: probe atom residue distance (Å) B Occ C:Cr201 b:14.2 occ:1.00 CR C:J7U201 0.0 14.2 1.0 NAI C:J7U201 2.1 15.1 1.0 OH C:TYR75 2.1 10.5 1.0 NAN C:J7U201 2.1 16.5 1.0 NAS C:J7U201 2.1 15.6 1.0 NAX C:J7U201 2.1 15.2 1.0 NE2 C:HIS32 2.1 9.5 1.0 CZ C:TYR75 3.0 11.9 1.0 CAR C:J7U201 3.0 17.0 1.0 CAO C:J7U201 3.0 18.5 1.0 CAW C:J7U201 3.1 16.6 1.0 CAE C:J7U201 3.1 19.1 1.0 CAJ C:J7U201 3.1 20.1 1.0 CAM C:J7U201 3.1 18.8 1.0 CAH C:J7U201 3.1 18.7 1.0 CAT C:J7U201 3.1 16.6 1.0 CE1 C:HIS32 3.1 13.9 1.0 CD2 C:HIS32 3.1 12.2 1.0 CAD C:J7U201 3.4 14.5 1.0 CAB C:J7U201 3.4 15.1 1.0 CAA C:J7U201 3.4 15.2 1.0 CAC C:J7U201 3.4 13.0 1.0 CE1 C:TYR75 3.7 9.5 1.0 CE2 C:TYR75 3.7 12.3 1.0 ND1 C:HIS83 3.9 12.3 1.0 CAQ C:J7U201 4.2 16.2 1.0 CAP C:J7U201 4.2 17.3 1.0 CAG C:J7U201 4.2 16.8 1.0 CAF C:J7U201 4.2 16.6 1.0 ND1 C:HIS32 4.2 13.7 1.0 CAV C:J7U201 4.2 15.3 1.0 CAL C:J7U201 4.2 18.4 1.0 CAK C:J7U201 4.2 17.5 1.0 CAU C:J7U201 4.2 14.9 1.0 CG C:HIS32 4.2 12.6 1.0 CE1 C:HIS83 4.6 12.7 1.0 CG C:HIS83 4.8 12.1 1.0 CBQ C:J7U201 4.8 15.5 1.0 CD1 C:TYR75 4.9 9.8 1.0 CBK C:J7U201 4.9 15.6 1.0 CBE C:J7U201 4.9 17.4 1.0 CD2 C:TYR75 4.9 11.6 1.0 CAY C:J7U201 4.9 18.3 1.0 CB C:HIS83 4.9 12.5 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