Iron in PDB 5kd1: Sperm Whale Myoglobin H64A with Nitrosoamphetamine

The structure of Sperm Whale Myoglobin H64A with Nitrosoamphetamine, PDB code: 5kd1 was solved by B.Wang, Y.Guan, L.M.Thomas, G.B.Richter-Addo, with X-Ray Crystallography technique. A brief refinement statistics is given in the table below:

Resolution Low / High (Å)	29.36 / 1.70
Space group	P 6
Cell size a, b, c (Å), α, β, γ (°)	90.500, 90.500, 45.360, 90.00, 90.00, 120.00
R / Rfree (%)	14.8 / 17.7

The binding sites of Iron atom in the Sperm Whale Myoglobin H64A with Nitrosoamphetamine (pdb code 5kd1). 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 Sperm Whale Myoglobin H64A with Nitrosoamphetamine, PDB code: 5kd1:

Iron binding site 1 out of 1 in the Sperm Whale Myoglobin H64A with Nitrosoamphetamine


Mono view


Stereo pair view

A full contact list of Iron with other atoms in the Fe binding site number 1 of Sperm Whale Myoglobin H64A with Nitrosoamphetamine within 5.0Å range: probe atom residue distance (Å) B Occ A:Fe201 b:14.2 occ:1.00 FE A:HEM201 0.0 14.2 1.0 N7 A:3QM206 1.9 16.5 1.0 ND A:HEM201 2.0 13.5 1.0 NA A:HEM201 2.0 13.6 1.0 NC A:HEM201 2.0 11.0 1.0 NB A:HEM201 2.1 12.7 1.0 NE2 A:HIS93 2.1 13.2 1.0 O1 A:3QM206 2.6 16.4 1.0 C1D A:HEM201 3.0 13.1 1.0 C4D A:HEM201 3.0 12.5 1.0 C1A A:HEM201 3.0 14.6 1.0 C4A A:HEM201 3.0 13.5 1.0 C41 A:3QM206 3.0 16.9 1.0 CE1 A:HIS93 3.0 16.4 1.0 C4C A:HEM201 3.0 11.3 1.0 C1B A:HEM201 3.1 12.8 1.0 C1C A:HEM201 3.1 10.0 1.0 C4B A:HEM201 3.1 10.7 1.0 CD2 A:HIS93 3.2 12.0 1.0 CHD A:HEM201 3.4 12.8 1.0 CHC A:HEM201 3.4 10.4 1.0 CHB A:HEM201 3.4 14.1 1.0 CHA A:HEM201 3.4 13.4 1.0 C42 A:3QM206 3.8 15.6 1.0 C2A A:HEM201 4.2 14.8 1.0 ND1 A:HIS93 4.2 15.2 1.0 C3A A:HEM201 4.2 14.2 1.0 C43 A:3QM206 4.2 16.8 1.0 C3C A:HEM201 4.2 12.2 1.0 C2D A:HEM201 4.2 13.2 1.0 C3D A:HEM201 4.3 14.5 1.0 C2C A:HEM201 4.3 10.4 1.0 C2B A:HEM201 4.3 12.1 1.0 CG A:HIS93 4.3 13.4 1.0 C3B A:HEM201 4.3 12.1 1.0 C44 A:3QM206 4.5 17.1 1.0 C49 A:3QM206 4.5 17.0 1.0

B.Wang, S.M.Powell, Y.Guan, N.Xu, L.M.Thomas, G.B.Richter-Addo. Nitrosoamphetamine Binding to Myoglobin and Hemoglobin: Crystal Structure of the H64A Myoglobin-Nitrosoamphetamine Adduct. Nitric Oxide V. 67 26 2017.
ISSN: ESSN 1089-8611
PubMed: 28450187
DOI: 10.1016/J.NIOX.2017.04.012