Iron in PDB 3nml: Sperm Whale Myoglobin Mutant H64W Carbonmonoxy-Form

The structure of Sperm Whale Myoglobin Mutant H64W Carbonmonoxy-Form, PDB code: 3nml was solved by I.Birukou, J.Soman, J.S.Olson, with X-Ray Crystallography technique. A brief refinement statistics is given in the table below:

Resolution Low / High (Å)	22.71 / 1.68
Space group	P 21 21 21
Cell size a, b, c (Å), α, β, γ (°)	38.930, 46.960, 89.500, 90.00, 90.00, 90.00
R / Rfree (%)	16.6 / 19.6

The binding sites of Iron atom in the Sperm Whale Myoglobin Mutant H64W Carbonmonoxy-Form (pdb code 3nml). 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 Mutant H64W Carbonmonoxy-Form, PDB code: 3nml:

Iron binding site 1 out of 1 in the Sperm Whale Myoglobin Mutant H64W Carbonmonoxy-Form


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 Mutant H64W Carbonmonoxy-Form within 5.0Å range: probe atom residue distance (Å) B Occ A:Fe154 b:11.1 occ:1.00 FE A:HEM154 0.0 11.1 1.0 HE2 A:HIS93 1.2 8.5 1.0 C A:CMO155 1.5 22.1 1.0 NC A:HEM154 2.0 7.5 1.0 NA A:HEM154 2.0 9.4 1.0 NB A:HEM154 2.0 7.1 1.0 ND A:HEM154 2.1 7.9 1.0 NE2 A:HIS93 2.1 7.1 1.0 O A:CMO155 2.8 14.8 1.0 CE1 A:HIS93 3.0 11.9 1.0 C4C A:HEM154 3.0 8.8 1.0 C1C A:HEM154 3.0 10.1 1.0 C4B A:HEM154 3.0 6.9 1.0 C4A A:HEM154 3.1 9.0 1.0 C1B A:HEM154 3.1 7.6 1.0 C1D A:HEM154 3.1 9.3 1.0 C1A A:HEM154 3.1 10.2 1.0 C4D A:HEM154 3.1 8.9 1.0 HE1 A:HIS93 3.1 14.2 1.0 CD2 A:HIS93 3.2 9.0 1.0 HD2 A:HIS93 3.4 10.7 1.0 CHC A:HEM154 3.4 9.3 1.0 CHD A:HEM154 3.4 11.3 1.0 CHB A:HEM154 3.5 8.9 1.0 CHA A:HEM154 3.5 9.9 1.0 HG22 A:VAL68 3.9 17.9 1.0 ND1 A:HIS93 4.2 12.3 1.0 C2C A:HEM154 4.2 7.7 1.0 C3C A:HEM154 4.2 9.5 1.0 C2A A:HEM154 4.3 8.4 1.0 CG A:HIS93 4.3 12.0 1.0 C3A A:HEM154 4.3 8.3 1.0 C2B A:HEM154 4.3 7.3 1.0 C3B A:HEM154 4.3 9.1 1.0 C2D A:HEM154 4.3 11.2 1.0 C3D A:HEM154 4.3 9.1 1.0 HD2 A:HIS97 4.3 11.9 1.0 HHC A:HEM154 4.4 11.1 1.0 HHD A:HEM154 4.4 13.5 1.0 HHB A:HEM154 4.4 10.6 1.0 HHA A:HEM154 4.4 11.8 1.0 HZ A:PHE43 4.4 15.1 1.0 HD11 A:LEU89 4.5 23.9 1.0 HG13 A:ILE99 4.7 11.4 1.0 CG2 A:VAL68 4.7 15.0 1.0 HG21 A:VAL68 4.8 17.9 1.0 HE2 A:PHE43 4.9 15.2 1.0 CD2 A:HIS97 4.9 9.9 1.0 HD1 A:HIS93 4.9 14.7 1.0

I.Birukou, J.Soman, J.S.Olson. Blocking the Gate to Ligand Entry in Human Hemoglobin. J.Biol.Chem. V. 286 10515 2011.
ISSN: ISSN 0021-9258
PubMed: 21193395
DOI: 10.1074/JBC.M110.176271