Manganese in PDB 7emq: Crystal Structure of Hasap Capturing Manganese Tetraphenylporphyrin

The structure of Crystal Structure of Hasap Capturing Manganese Tetraphenylporphyrin, PDB code: 7emq 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 (°)	84.802, 84.802, 84.485, 90, 90, 90
R / Rfree (%)	12.1 / 16.5

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

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


Mono view


Stereo pair view

A full contact list of Manganese with other atoms in the Mn binding site number 1 of Crystal Structure of Hasap Capturing Manganese Tetraphenylporphyrin within 5.0Å range: probe atom residue distance (Å) B Occ A:Mn201 b:15.6 occ:1.00 MN A:J7X201 0.0 15.6 1.0 NAS A:J7X201 2.1 17.4 1.0 NAI A:J7X201 2.1 17.2 1.0 NAX A:J7X201 2.1 16.4 1.0 NAN A:J7X201 2.1 17.5 1.0 NE2 A:HIS32 2.2 12.3 1.0 OH A:TYR75 2.4 18.1 1.0 CAR A:J7X201 3.1 17.8 1.0 CAJ A:J7X201 3.1 17.5 1.0 CAT A:J7X201 3.1 18.8 1.0 CAW A:J7X201 3.1 18.4 1.0 CAH A:J7X201 3.1 19.1 1.0 CAM A:J7X201 3.1 17.3 1.0 CAO A:J7X201 3.1 19.0 1.0 CAE A:J7X201 3.1 19.1 1.0 CE1 A:HIS32 3.2 15.5 1.0 CD2 A:HIS32 3.3 14.3 1.0 CZ A:TYR75 3.4 15.6 1.0 CAC A:J7X201 3.4 14.9 1.0 CAD A:J7X201 3.4 14.7 1.0 CAA A:J7X201 3.4 15.0 1.0 CAB A:J7X201 3.5 15.6 1.0 CE1 A:TYR75 4.1 15.9 1.0 ND1 A:HIS83 4.1 14.1 1.0 CE2 A:TYR75 4.1 14.7 1.0 CAV A:J7X201 4.3 16.1 1.0 CAP A:J7X201 4.3 16.7 1.0 CAU A:J7X201 4.3 16.5 1.0 CAK A:J7X201 4.3 16.9 1.0 CAQ A:J7X201 4.3 17.8 1.0 CAL A:J7X201 4.3 16.4 1.0 CAG A:J7X201 4.3 18.7 1.0 CAF A:J7X201 4.3 17.2 1.0 ND1 A:HIS32 4.4 17.1 1.0 CG A:HIS32 4.4 14.3 1.0 CE1 A:HIS83 4.7 17.0 1.0 CBK A:J7X201 4.9 16.9 1.0 CG A:HIS83 4.9 15.4 1.0 CBE A:J7X201 4.9 17.9 1.0 CAY A:J7X201 4.9 17.5 1.0 CBQ A:J7X201 4.9 15.9 1.0

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


Mono view


Stereo pair view

A full contact list of Manganese with other atoms in the Mn binding site number 2 of Crystal Structure of Hasap Capturing Manganese Tetraphenylporphyrin within 5.0Å range: probe atom residue distance (Å) B Occ B:Mn302 b:16.4 occ:1.00 MN B:J7X302 0.0 16.4 1.0 NAS B:J7X302 2.1 18.4 1.0 NAN B:J7X302 2.1 17.8 1.0 NAI B:J7X302 2.1 17.4 1.0 NAX B:J7X302 2.1 17.7 1.0 NE2 B:HIS32 2.2 12.7 1.0 OH B:TYR75 2.4 15.6 1.0 CAR B:J7X302 3.1 19.6 1.0 CAO B:J7X302 3.1 19.7 1.0 CAJ B:J7X302 3.1 20.6 1.0 CAW B:J7X302 3.1 19.0 1.0 CAT B:J7X302 3.1 19.3 1.0 CAM B:J7X302 3.1 20.3 1.0 CAE B:J7X302 3.1 18.4 1.0 CAH B:J7X302 3.1 18.1 1.0 CD2 B:HIS32 3.2 14.8 1.0 CE1 B:HIS32 3.3 14.9 1.0 CZ B:TYR75 3.3 14.9 1.0 CAC B:J7X302 3.4 16.1 1.0 CAD B:J7X302 3.4 15.3 1.0 CAB B:J7X302 3.4 16.8 1.0 CAA B:J7X302 3.4 15.4 1.0 ND1 B:HIS83 4.0 15.5 1.0 CE2 B:TYR75 4.0 13.6 1.0 CE1 B:TYR75 4.1 14.4 1.0 CAK B:J7X302 4.3 18.6 1.0 CAQ B:J7X302 4.3 20.4 1.0 CAL B:J7X302 4.3 17.9 1.0 CAF B:J7X302 4.3 17.6 1.0 CAV B:J7X302 4.3 16.0 1.0 CAP B:J7X302 4.3 21.8 1.0 CAG B:J7X302 4.3 17.6 1.0 CAU B:J7X302 4.3 16.4 1.0 CG B:HIS32 4.4 15.7 1.0 ND1 B:HIS32 4.4 16.8 1.0 CE1 B:HIS83 4.8 16.8 1.0 CG B:HIS83 4.8 16.6 1.0 CB B:HIS83 4.9 15.3 1.0 CBK B:J7X302 4.9 16.8 1.0 CBQ B:J7X302 4.9 17.6 1.0 CBE B:J7X302 4.9 20.1 1.0 CAY B:J7X302 5.0 17.2 1.0

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


Mono view


Stereo pair view

A full contact list of Manganese with other atoms in the Mn binding site number 3 of Crystal Structure of Hasap Capturing Manganese Tetraphenylporphyrin within 5.0Å range: probe atom residue distance (Å) B Occ C:Mn201 b:19.1 occ:1.00 MN C:J7X201 0.0 19.1 1.0 NAI C:J7X201 2.1 20.2 1.0 NAN C:J7X201 2.1 21.3 1.0 NAS C:J7X201 2.1 20.8 1.0 NAX C:J7X201 2.2 19.5 1.0 NE2 C:HIS32 2.3 16.0 1.0 OH C:TYR75 2.4 19.7 1.0 CAH C:J7X201 3.1 21.5 1.0 CAE C:J7X201 3.1 21.6 1.0 CAO C:J7X201 3.1 22.5 1.0 CAJ C:J7X201 3.1 23.4 1.0 CAR C:J7X201 3.1 21.9 1.0 CAM C:J7X201 3.1 23.1 1.0 CAW C:J7X201 3.1 19.9 1.0 CAT C:J7X201 3.1 20.8 1.0 CE1 C:HIS32 3.3 19.1 1.0 CD2 C:HIS32 3.3 17.2 1.0 CZ C:TYR75 3.3 18.1 1.0 CAD C:J7X201 3.4 19.3 1.0 CAB C:J7X201 3.4 20.7 1.0 CAA C:J7X201 3.4 19.7 1.0 CAC C:J7X201 3.4 18.4 1.0 CE1 C:TYR75 4.0 15.3 1.0 CE2 C:TYR75 4.0 18.3 1.0 ND1 C:HIS83 4.1 18.3 1.0 CAG C:J7X201 4.2 21.1 1.0 CAF C:J7X201 4.2 20.5 1.0 CAP C:J7X201 4.3 23.0 1.0 CAQ C:J7X201 4.3 20.9 1.0 CAK C:J7X201 4.3 22.6 1.0 CAL C:J7X201 4.3 22.1 1.0 CAV C:J7X201 4.3 20.3 1.0 CAU C:J7X201 4.3 19.0 1.0 ND1 C:HIS32 4.4 19.2 1.0 CG C:HIS32 4.4 18.1 1.0 CG C:HIS83 4.8 17.6 1.0 CE1 C:HIS83 4.8 18.7 1.0 CBQ C:J7X201 4.9 19.7 1.0 CBK C:J7X201 4.9 20.9 1.0 CBE C:J7X201 4.9 23.3 1.0 CAY C:J7X201 4.9 23.1 1.0 CB C:HIS83 5.0 16.7 1.0 CG2 C:VAL37 5.0 22.4 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