Iron in PDB 5hlx: X-Ray Crystal Structure of Met F43H/H64A Sperm Whale Myoglobin in Complex with Nitrite

The structure of X-Ray Crystal Structure of Met F43H/H64A Sperm Whale Myoglobin in Complex with Nitrite, PDB code: 5hlx was solved by H.Yuan, with X-Ray Crystallography technique. A brief refinement statistics is given in the table below:

Resolution Low / High (Å)	35.37 / 1.50
Space group	P 21 21 21
Cell size a, b, c (Å), α, β, γ (°)	39.701, 49.545, 77.588, 90.00, 90.00, 90.00
R / Rfree (%)	14.8 / 17.3

The binding sites of Iron atom in the X-Ray Crystal Structure of Met F43H/H64A Sperm Whale Myoglobin in Complex with Nitrite (pdb code 5hlx). 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 X-Ray Crystal Structure of Met F43H/H64A Sperm Whale Myoglobin in Complex with Nitrite, PDB code: 5hlx:

Iron binding site 1 out of 1 in the X-Ray Crystal Structure of Met F43H/H64A Sperm Whale Myoglobin in Complex with Nitrite


Mono view


Stereo pair view

A full contact list of Iron with other atoms in the Fe binding site number 1 of X-Ray Crystal Structure of Met F43H/H64A Sperm Whale Myoglobin in Complex with Nitrite within 5.0Å range: probe atom residue distance (Å) B Occ A:Fe201 b:6.5 occ:1.00 FE A:HEM201 0.0 6.5 1.0 ND A:HEM201 2.0 6.8 1.0 NA A:HEM201 2.0 6.6 1.0 NC A:HEM201 2.1 6.7 1.0 NB A:HEM201 2.1 6.5 1.0 O A:HOH331 2.1 10.5 1.0 NE2 A:HIS93 2.1 6.2 1.0 C4D A:HEM201 3.0 6.7 1.0 C1A A:HEM201 3.0 6.0 1.0 C1D A:HEM201 3.0 7.9 1.0 C4B A:HEM201 3.1 6.2 1.0 CE1 A:HIS93 3.1 6.6 1.0 C1B A:HEM201 3.1 5.7 1.0 C4A A:HEM201 3.1 5.5 1.0 C4C A:HEM201 3.1 7.2 1.0 C1C A:HEM201 3.1 6.1 1.0 CD2 A:HIS93 3.2 6.8 1.0 CHA A:HEM201 3.4 6.9 1.0 CHD A:HEM201 3.4 7.3 1.0 CHC A:HEM201 3.4 6.0 1.0 CHB A:HEM201 3.4 5.5 1.0 O1 A:NO2202 4.2 14.9 1.0 ND1 A:HIS93 4.2 6.8 1.0 C2D A:HEM201 4.2 8.0 1.0 C2A A:HEM201 4.3 7.0 1.0 C3C A:HEM201 4.3 7.8 1.0 O A:HOH477 4.3 15.9 1.0 C3D A:HEM201 4.3 8.5 1.0 C2B A:HEM201 4.3 6.1 1.0 C3B A:HEM201 4.3 6.0 1.0 C3A A:HEM201 4.3 5.9 1.0 C2C A:HEM201 4.3 7.5 1.0 CG A:HIS93 4.3 6.2 1.0 CG2 A:VAL68 4.6 7.7 1.0 N A:NO2202 4.9 16.5 1.0

L.B.Wu, H.Yuan, S.Q.Gao, Y.You, C.M.Nie, G.B.Wen, Y.W.Lin, X.Tan. Regulating the Nitrite Reductase Activity of Myoglobin By Redesigning the Heme Active Center Nitric Oxide V. 57 21 2016.
ISSN: ESSN 1089-8611
PubMed: 27108710
DOI: 10.1016/J.NIOX.2016.04.007