Iron in PDB 4of9: Structure of K42N Variant of Sperm Whale Myoglobin

The structure of Structure of K42N Variant of Sperm Whale Myoglobin, PDB code: 4of9 was solved by L.Lebioda, C.Wang, L.L.Lovelace, with X-Ray Crystallography technique. A brief refinement statistics is given in the table below:

Resolution Low / High (Å)	24.76 / 1.24
Space group	P 6
Cell size a, b, c (Å), α, β, γ (°)	90.304, 90.304, 45.314, 90.00, 90.00, 120.00
R / Rfree (%)	11.9 / 14.1

The binding sites of Iron atom in the Structure of K42N Variant of Sperm Whale Myoglobin (pdb code 4of9). 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 Structure of K42N Variant of Sperm Whale Myoglobin, PDB code: 4of9:

Iron binding site 1 out of 1 in the Structure of K42N Variant of Sperm Whale Myoglobin


Mono view


Stereo pair view

A full contact list of Iron with other atoms in the Fe binding site number 1 of Structure of K42N Variant of Sperm Whale Myoglobin within 5.0Å range: probe atom residue distance (Å) B Occ A:Fe201 b:5.5 occ:1.00 FE A:HEM201 0.0 5.5 1.0 ND A:HEM201 2.0 5.9 1.0 NC A:HEM201 2.0 5.9 1.0 NA A:HEM201 2.0 5.7 1.0 NB A:HEM201 2.0 5.4 1.0 O A:HOH301 2.1 6.9 1.0 NE2 A:HIS93 2.1 5.4 1.0 C4D A:HEM201 3.0 5.5 1.0 C1D A:HEM201 3.0 6.0 1.0 C4C A:HEM201 3.0 5.7 1.0 CE1 A:HIS93 3.1 6.2 1.0 C1C A:HEM201 3.1 5.4 1.0 C1A A:HEM201 3.1 5.3 1.0 C4B A:HEM201 3.1 5.2 1.0 C1B A:HEM201 3.1 5.4 1.0 C4A A:HEM201 3.1 5.2 1.0 CD2 A:HIS93 3.1 5.5 1.0 CHD A:HEM201 3.4 6.1 1.0 CHA A:HEM201 3.4 5.8 1.0 CHC A:HEM201 3.4 5.6 1.0 CHB A:HEM201 3.4 5.5 1.0 ND1 A:HIS93 4.2 6.5 1.0 C3D A:HEM201 4.2 6.1 1.0 C2D A:HEM201 4.2 6.4 1.0 C2C A:HEM201 4.3 6.2 1.0 CG A:HIS93 4.3 5.6 1.0 C3C A:HEM201 4.3 6.3 1.0 C2B A:HEM201 4.3 5.4 1.0 C2A A:HEM201 4.3 5.4 1.0 C3B A:HEM201 4.3 4.7 1.0 C3A A:HEM201 4.3 5.4 1.0 NE2 A:HIS64 4.4 7.3 1.0 CG2 A:VAL68 4.7 5.8 1.0 CE1 A:HIS64 4.8 7.6 1.0 CD2 A:HIS97 5.0 8.7 1.0

C.Wang, L.L.Lovelace, S.Sun, J.H.Dawson, L.Lebioda. Structures of K42N and K42Y Sperm Whale Myoglobins Point to An Inhibitory Role of Distal Water in Peroxidase Activity. Acta Crystallogr.,Sect.D V. 70 2833 2014.
ISSN: ISSN 0907-4449
PubMed: 25372675
DOI: 10.1107/S1399004714017787