Iron in PDB 4pqc: A Sperm Whale Myoglobin Single Mutant F43H Mb with Native HIS93 Coordination

The structure of A Sperm Whale Myoglobin Single Mutant F43H Mb with Native HIS93 Coordination, PDB code: 4pqc was solved by L.Ying-Wu, T.Xiang-Shi, L.Wei, with X-Ray Crystallography technique. A brief refinement statistics is given in the table below:

Resolution Low / High (Å)	30.65 / 1.50
Space group	P 21 21 21
Cell size a, b, c (Å), α, β, γ (°)	39.808, 48.055, 77.210, 90.00, 90.00, 90.00
R / Rfree (%)	18.1 / 20.9

The binding sites of Iron atom in the A Sperm Whale Myoglobin Single Mutant F43H Mb with Native HIS93 Coordination (pdb code 4pqc). This binding sites where shown within 5.0 Angstroms radius around Iron atom.
In total only one binding site of Iron was determined in the A Sperm Whale Myoglobin Single Mutant F43H Mb with Native HIS93 Coordination, PDB code: 4pqc:

Iron binding site 1 out of 1 in the A Sperm Whale Myoglobin Single Mutant F43H Mb with Native HIS93 Coordination


Mono view


Stereo pair view

A full contact list of Iron with other atoms in the Fe binding site number 1 of A Sperm Whale Myoglobin Single Mutant F43H Mb with Native HIS93 Coordination within 5.0Å range: probe atom residue distance (Å) B Occ A:Fe201 b:14.8 occ:1.00 FE A:HEM201 0.0 14.8 1.0 NC A:HEM201 2.1 16.0 1.0 NA A:HEM201 2.1 14.7 1.0 NB A:HEM201 2.1 13.6 1.0 NE2 A:HIS93 2.1 13.3 1.0 O A:HOH308 2.2 16.4 1.0 ND A:HEM201 2.4 16.8 1.0 CE1 A:HIS93 3.0 13.5 1.0 C4C A:HEM201 3.1 14.6 1.0 C4A A:HEM201 3.1 13.2 1.0 C1C A:HEM201 3.1 13.5 1.0 C1A A:HEM201 3.1 14.1 1.0 C4B A:HEM201 3.1 13.4 1.0 C1B A:HEM201 3.1 15.2 1.0 CD2 A:HIS93 3.2 14.4 1.0 C4D A:HEM201 3.3 18.3 1.0 C1D A:HEM201 3.3 16.8 1.0 CHA A:HEM201 3.6 18.0 1.0 CHD A:HEM201 3.6 17.8 1.0 CHB A:HEM201 3.6 11.7 1.0 CHC A:HEM201 3.6 14.4 1.0 O A:HOH498 4.1 27.6 1.0 ND1 A:HIS93 4.2 15.1 1.0 C2C A:HEM201 4.2 14.4 1.0 C2A A:HEM201 4.3 14.4 1.0 CG A:HIS93 4.3 14.0 1.0 C3C A:HEM201 4.3 15.8 1.0 C3A A:HEM201 4.3 12.9 1.0 C3B A:HEM201 4.5 14.9 1.0 C2B A:HEM201 4.5 14.8 1.0 NE2 A:HIS64 4.5 17.9 1.0 CG2 A:VAL68 4.6 13.2 1.0 C2D A:HEM201 4.6 19.2 1.0 C3D A:HEM201 4.6 19.9 1.0 CE1 A:HIS64 4.9 18.9 1.0

J.-F.Du, W.Li, L.Li, G.-B.Wen, Y.-W.Lin, X.Tan. Regulating the Coordination State of A Heme Protein By A Designed Distal Hydrogen-Bonding Network Chemistryopen 2014.
ISSN: ESSN 2191-1363
DOI: 10.1002/OPEN.201402108