Iron in PDB 7ems: Crystal Structure of the Hasap L85A Mutant Capturing Iron Tetraphenylporphyrin

The structure of Crystal Structure of the Hasap L85A Mutant Capturing Iron Tetraphenylporphyrin, PDB code: 7ems 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)	20.00 / 1.85
Space group	P 1 21 1
Cell size a, b, c (Å), α, β, γ (°)	31.119, 125.104, 66.176, 90, 99.45, 90
R / Rfree (%)	16.7 / 20.4

The binding sites of Iron atom in the Crystal Structure of the Hasap L85A Mutant Capturing Iron Tetraphenylporphyrin (pdb code 7ems). 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 the Hasap L85A Mutant Capturing Iron Tetraphenylporphyrin, PDB code: 7ems:
Jump to Iron binding site number: 1; 2; 3;

Iron binding site 1 out of 3 in the Crystal Structure of the Hasap L85A Mutant 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 the Hasap L85A Mutant Capturing Iron Tetraphenylporphyrin within 5.0Å range: probe atom residue distance (Å) B Occ A:Fe201 b:13.5 occ:1.00 FE A:MQP201 0.0 13.5 1.0 NAN A:MQP201 2.0 12.8 1.0 NAX A:MQP201 2.0 12.2 1.0 NAI A:MQP201 2.0 12.4 1.0 NAS A:MQP201 2.0 12.8 1.0 OH A:TYR75 2.1 11.5 1.0 NE2 A:HIS32 2.1 14.1 1.0 CZ A:TYR75 2.9 11.8 1.0 CAM A:MQP201 3.0 13.1 1.0 CAT A:MQP201 3.0 13.2 1.0 CAW A:MQP201 3.0 12.6 1.0 CAE A:MQP201 3.0 12.4 1.0 CAH A:MQP201 3.0 12.4 1.0 CAJ A:MQP201 3.0 12.7 1.0 CAO A:MQP201 3.0 13.8 1.0 CE1 A:HIS32 3.0 14.9 1.0 CAR A:MQP201 3.1 13.4 1.0 CD2 A:HIS32 3.1 14.4 1.0 CAB A:MQP201 3.4 13.6 1.0 CAD A:MQP201 3.4 13.3 1.0 CAC A:MQP201 3.4 13.3 1.0 CAA A:MQP201 3.4 12.5 1.0 CE2 A:TYR75 3.7 12.2 1.0 CE1 A:TYR75 3.7 12.1 1.0 ND1 A:HIS83 4.0 14.1 1.0 ND1 A:HIS32 4.2 14.1 1.0 CAL A:MQP201 4.2 13.3 1.0 CAU A:MQP201 4.2 12.8 1.0 CAV A:MQP201 4.2 13.3 1.0 CAK A:MQP201 4.2 12.4 1.0 CAG A:MQP201 4.2 12.2 1.0 CG A:HIS32 4.2 13.8 1.0 CAF A:MQP201 4.2 12.6 1.0 CAP A:MQP201 4.3 13.9 1.0 CAQ A:MQP201 4.3 13.3 1.0 CG2 A:VAL37 4.8 18.4 1.0 CG A:HIS83 4.8 13.9 1.0 CE1 A:HIS83 4.9 15.1 1.0 CBE A:MQP201 4.9 14.5 1.0 CBQ A:MQP201 4.9 14.7 1.0 CBK A:MQP201 4.9 13.9 1.0 CB A:HIS83 4.9 14.1 1.0 CD2 A:TYR75 4.9 12.6 1.0 CD1 A:TYR75 4.9 12.1 1.0 CAY A:MQP201 4.9 13.6 1.0

Iron binding site 2 out of 3 in the Crystal Structure of the Hasap L85A Mutant 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 the Hasap L85A Mutant Capturing Iron Tetraphenylporphyrin within 5.0Å range: probe atom residue distance (Å) B Occ B:Fe201 b:13.9 occ:1.00 FE B:MQP201 0.0 13.9 1.0 NAI B:MQP201 2.0 13.3 1.0 NAX B:MQP201 2.0 13.8 1.0 NAS B:MQP201 2.0 13.8 1.0 NAN B:MQP201 2.0 13.7 1.0 OH B:TYR75 2.1 12.6 1.0 NE2 B:HIS32 2.1 13.2 1.0 CZ B:TYR75 3.0 13.4 1.0 CAM B:MQP201 3.0 13.5 1.0 CAT B:MQP201 3.0 13.8 1.0 CAJ B:MQP201 3.0 13.6 1.0 CAH B:MQP201 3.0 14.5 1.0 CAO B:MQP201 3.0 13.6 1.0 CE1 B:HIS32 3.0 14.8 1.0 CAW B:MQP201 3.0 14.2 1.0 CAE B:MQP201 3.0 14.0 1.0 CAR B:MQP201 3.0 14.3 1.0 CD2 B:HIS32 3.1 14.1 1.0 CAB B:MQP201 3.4 14.5 1.0 CAA B:MQP201 3.4 14.4 1.0 CAC B:MQP201 3.4 13.8 1.0 CAD B:MQP201 3.4 14.6 1.0 CE2 B:TYR75 3.7 13.3 1.0 CE1 B:TYR75 3.8 13.5 1.0 ND1 B:HIS83 4.1 14.8 1.0 ND1 B:HIS32 4.2 14.4 1.0 CAU B:MQP201 4.2 13.8 1.0 CAL B:MQP201 4.2 13.9 1.0 CAV B:MQP201 4.2 13.8 1.0 CAP B:MQP201 4.2 13.7 1.0 CAK B:MQP201 4.2 14.2 1.0 CG B:HIS32 4.2 14.4 1.0 CAF B:MQP201 4.3 14.3 1.0 CAG B:MQP201 4.3 14.5 1.0 CAQ B:MQP201 4.3 13.4 1.0 CG2 B:VAL37 4.7 16.6 1.0 CBE B:MQP201 4.9 15.6 1.0 CE1 B:HIS83 4.9 15.2 1.0 CBK B:MQP201 4.9 14.9 1.0 CAY B:MQP201 4.9 14.1 1.0 CG B:HIS83 4.9 14.0 1.0 CBQ B:MQP201 4.9 15.6 1.0 CB B:HIS83 4.9 13.8 1.0 CD2 B:TYR75 4.9 13.1 1.0 CD1 B:TYR75 4.9 13.4 1.0

Iron binding site 3 out of 3 in the Crystal Structure of the Hasap L85A Mutant 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 the Hasap L85A Mutant Capturing Iron Tetraphenylporphyrin within 5.0Å range: probe atom residue distance (Å) B Occ C:Fe201 b:15.7 occ:1.00 FE C:MQP201 0.0 15.7 1.0 NAI C:MQP201 2.0 15.0 1.0 NAN C:MQP201 2.0 15.0 1.0 NAX C:MQP201 2.0 15.7 1.0 NAS C:MQP201 2.0 16.2 1.0 NE2 C:HIS32 2.0 17.2 1.0 OH C:TYR75 2.2 15.6 1.0 CE1 C:HIS32 3.0 17.0 1.0 CAE C:MQP201 3.0 14.8 1.0 CZ C:TYR75 3.0 15.1 1.0 CAT C:MQP201 3.0 16.4 1.0 CAM C:MQP201 3.0 16.3 1.0 CD2 C:HIS32 3.0 16.4 1.0 CAW C:MQP201 3.0 16.1 1.0 CAJ C:MQP201 3.0 15.5 1.0 CAH C:MQP201 3.0 15.8 1.0 CAR C:MQP201 3.0 16.4 1.0 CAO C:MQP201 3.0 17.1 1.0 CAD C:MQP201 3.4 16.1 1.0 CAC C:MQP201 3.4 16.0 1.0 CAB C:MQP201 3.4 17.3 1.0 CAA C:MQP201 3.5 16.1 1.0 CE2 C:TYR75 3.7 15.4 1.0 CE1 C:TYR75 3.8 14.7 1.0 ND1 C:HIS83 4.1 18.3 1.0 ND1 C:HIS32 4.1 16.7 1.0 CG C:HIS32 4.1 17.0 1.0 CAF C:MQP201 4.2 15.2 1.0 CAV C:MQP201 4.2 16.8 1.0 CAL C:MQP201 4.2 16.1 1.0 CAU C:MQP201 4.2 16.0 1.0 CAG C:MQP201 4.2 15.1 1.0 CAP C:MQP201 4.3 16.9 1.0 CAK C:MQP201 4.3 15.5 1.0 CAQ C:MQP201 4.3 17.1 1.0 CG2 C:VAL37 4.7 19.8 1.0 CE1 C:HIS83 4.8 18.7 1.0 CBK C:MQP201 4.9 15.8 1.0 CD2 C:TYR75 4.9 14.7 1.0 CBE C:MQP201 4.9 18.5 1.0 CBQ C:MQP201 4.9 18.4 1.0 CAY C:MQP201 4.9 16.1 1.0 CD1 C:TYR75 5.0 14.8 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