Iron in PDB 7emo: Crystal Structure of Hasap Capturing Iron Tetraphenylporphyrin

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

Resolution Low / High (Å)	19.80 / 1.50
Space group	P 41
Cell size a, b, c (Å), α, β, γ (°)	83.969, 83.969, 84.011, 90, 90, 90
R / Rfree (%)	12.8 / 17.1

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

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


Mono view


Stereo pair view

A full contact list of Iron with other atoms in the Fe binding site number 1 of Crystal Structure of Hasap Capturing Iron Tetraphenylporphyrin within 5.0Å range: probe atom residue distance (Å) B Occ A:Fe201 b:17.5 occ:1.00 FE A:MQP201 0.0 17.5 1.0 NE2 A:HIS32 2.0 17.2 1.0 NAS A:MQP201 2.1 16.3 1.0 NAX A:MQP201 2.1 16.1 1.0 OH A:TYR75 2.1 18.2 1.0 NAI A:MQP201 2.1 16.4 1.0 NAN A:MQP201 2.1 16.2 1.0 CE1 A:HIS32 3.0 20.0 1.0 CZ A:TYR75 3.0 17.8 1.0 CAT A:MQP201 3.1 17.1 1.0 CD2 A:HIS32 3.1 17.7 1.0 CAO A:MQP201 3.1 16.9 1.0 CAW A:MQP201 3.1 16.8 1.0 CAR A:MQP201 3.1 16.8 1.0 CAE A:MQP201 3.1 16.7 1.0 CAJ A:MQP201 3.1 17.4 1.0 CAH A:MQP201 3.1 17.3 1.0 CAM A:MQP201 3.1 17.2 1.0 CAC A:MQP201 3.4 15.8 1.0 CAD A:MQP201 3.4 17.0 1.0 CAB A:MQP201 3.4 18.3 1.0 CAA A:MQP201 3.5 16.6 1.0 CE1 A:TYR75 3.8 17.4 1.0 CE2 A:TYR75 3.8 17.1 1.0 ND1 A:HIS83 3.9 18.5 1.0 ND1 A:HIS32 4.1 18.7 1.0 CG A:HIS32 4.2 18.1 1.0 CAP A:MQP201 4.2 18.9 1.0 CAU A:MQP201 4.2 16.7 1.0 CAV A:MQP201 4.2 17.1 1.0 CAQ A:MQP201 4.2 17.1 1.0 CAK A:MQP201 4.2 18.6 1.0 CAG A:MQP201 4.2 17.5 1.0 CAF A:MQP201 4.2 17.3 1.0 CAL A:MQP201 4.3 17.7 1.0 CE1 A:HIS83 4.6 20.2 1.0 CG A:HIS83 4.8 19.5 1.0 CBK A:MQP201 4.9 16.4 1.0 CBQ A:MQP201 4.9 18.6 1.0 CBE A:MQP201 4.9 19.0 1.0 CAY A:MQP201 4.9 18.1 1.0 CD1 A:TYR75 4.9 17.4 1.0 CD2 A:TYR75 5.0 17.7 1.0 CB A:HIS83 5.0 20.0 1.0

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


Mono view


Stereo pair view

A full contact list of Iron with other atoms in the Fe binding site number 2 of Crystal Structure of Hasap Capturing Iron Tetraphenylporphyrin within 5.0Å range: probe atom residue distance (Å) B Occ B:Fe201 b:18.0 occ:1.00 FE B:MQP201 0.0 18.0 1.0 NE2 B:HIS32 2.0 16.9 1.0 OH B:TYR75 2.1 19.4 1.0 NAS B:MQP201 2.1 17.6 1.0 NAX B:MQP201 2.1 16.1 1.0 NAN B:MQP201 2.1 16.4 1.0 NAI B:MQP201 2.1 16.2 1.0 CZ B:TYR75 3.0 17.6 1.0 CD2 B:HIS32 3.0 17.1 1.0 CE1 B:HIS32 3.0 18.1 1.0 CAR B:MQP201 3.0 18.4 1.0 CAO B:MQP201 3.1 18.5 1.0 CAW B:MQP201 3.1 16.3 1.0 CAT B:MQP201 3.1 17.9 1.0 CAJ B:MQP201 3.1 18.7 1.0 CAH B:MQP201 3.1 18.1 1.0 CAM B:MQP201 3.1 18.2 1.0 CAE B:MQP201 3.1 16.9 1.0 CAC B:MQP201 3.4 18.1 1.0 CAA B:MQP201 3.4 18.1 1.0 CAD B:MQP201 3.4 16.2 1.0 CAB B:MQP201 3.5 19.5 1.0 CE2 B:TYR75 3.8 18.3 1.0 CE1 B:TYR75 3.8 17.9 1.0 ND1 B:HIS83 3.9 18.8 1.0 ND1 B:HIS32 4.1 17.9 1.0 CG B:HIS32 4.1 17.2 1.0 CAQ B:MQP201 4.2 20.3 1.0 CAP B:MQP201 4.2 20.8 1.0 CAK B:MQP201 4.2 20.3 1.0 CAU B:MQP201 4.2 17.9 1.0 CAV B:MQP201 4.2 16.8 1.0 CAL B:MQP201 4.2 20.4 1.0 CAF B:MQP201 4.2 17.2 1.0 CAG B:MQP201 4.2 17.6 1.0 CE1 B:HIS83 4.7 19.5 1.0 CG B:HIS83 4.7 18.3 1.0 CBK B:MQP201 4.8 17.9 1.0 CB B:HIS83 4.9 18.2 1.0 CBE B:MQP201 4.9 21.6 1.0 CBQ B:MQP201 4.9 17.4 1.0 CAY B:MQP201 4.9 17.9 1.0 CD2 B:TYR75 4.9 19.2 1.0 CD1 B:TYR75 5.0 16.8 1.0

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


Mono view


Stereo pair view

A full contact list of Iron with other atoms in the Fe binding site number 3 of Crystal Structure of Hasap Capturing Iron Tetraphenylporphyrin within 5.0Å range: probe atom residue distance (Å) B Occ C:Fe201 b:21.7 occ:1.00 FE C:MQP201 0.0 21.7 1.0 OH C:TYR75 2.1 20.8 1.0 NAS C:MQP201 2.1 20.9 1.0 NE2 C:HIS32 2.1 21.8 1.0 NAX C:MQP201 2.1 20.0 1.0 NAI C:MQP201 2.1 21.9 1.0 NAN C:MQP201 2.1 22.7 1.0 CZ C:TYR75 3.0 19.5 1.0 CAR C:MQP201 3.1 21.2 1.0 CE1 C:HIS32 3.1 23.6 1.0 CAH C:MQP201 3.1 22.6 1.0 CAO C:MQP201 3.1 21.9 1.0 CAT C:MQP201 3.1 20.2 1.0 CAM C:MQP201 3.1 22.6 1.0 CD2 C:HIS32 3.1 22.4 1.0 CAJ C:MQP201 3.1 23.6 1.0 CAW C:MQP201 3.1 20.7 1.0 CAE C:MQP201 3.1 21.9 1.0 CAC C:MQP201 3.4 20.0 1.0 CAB C:MQP201 3.4 21.1 1.0 CAA C:MQP201 3.4 22.2 1.0 CAD C:MQP201 3.4 21.0 1.0 CE2 C:TYR75 3.8 20.6 1.0 CE1 C:TYR75 3.8 18.6 1.0 ND1 C:HIS83 4.0 20.8 1.0 ND1 C:HIS32 4.2 22.9 1.0 CAG C:MQP201 4.2 23.5 1.0 CAQ C:MQP201 4.2 20.7 1.0 CAP C:MQP201 4.2 22.9 1.0 CAL C:MQP201 4.2 23.1 1.0 CAF C:MQP201 4.2 22.1 1.0 CAK C:MQP201 4.2 23.7 1.0 CAU C:MQP201 4.2 22.3 1.0 CG C:HIS32 4.2 20.8 1.0 CAV C:MQP201 4.2 23.1 1.0 CE1 C:HIS83 4.7 20.6 1.0 CBK C:MQP201 4.8 22.0 1.0 CBE C:MQP201 4.9 26.1 1.0 CAY C:MQP201 4.9 27.0 1.0 CBQ C:MQP201 4.9 21.8 1.0 CG C:HIS83 4.9 20.4 1.0 CD1 C:TYR75 4.9 19.4 1.0 CD2 C:TYR75 4.9 21.1 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