Iron in PDB 3u3e: Complex of Wild Type Myoglobin with Phenol in Its Proximal Cavity

The structure of Complex of Wild Type Myoglobin with Phenol in Its Proximal Cavity, PDB code: 3u3e was solved by L.R.Celeste, L.Lebioda, with X-Ray Crystallography technique. A brief refinement statistics is given in the table below:

Resolution Low / High (Å)	31.95 / 1.21
Space group	P 6
Cell size a, b, c (Å), α, β, γ (°)	90.309, 90.309, 45.204, 90.00, 90.00, 120.00
R / Rfree (%)	14.4 / 17

The binding sites of Iron atom in the Complex of Wild Type Myoglobin with Phenol in Its Proximal Cavity (pdb code 3u3e). 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 Complex of Wild Type Myoglobin with Phenol in Its Proximal Cavity, PDB code: 3u3e:

Iron binding site 1 out of 1 in the Complex of Wild Type Myoglobin with Phenol in Its Proximal Cavity


Mono view


Stereo pair view

A full contact list of Iron with other atoms in the Fe binding site number 1 of Complex of Wild Type Myoglobin with Phenol in Its Proximal Cavity within 5.0Å range: probe atom residue distance (Å) B Occ A:Fe201 b:11.1 occ:1.00 FE A:HEM201 0.0 11.1 1.0 NB A:HEM201 2.0 10.6 1.0 NA A:HEM201 2.0 11.3 1.0 NC A:HEM201 2.0 12.1 1.0 ND A:HEM201 2.0 12.4 1.0 NE2 A:HIS93 2.1 10.7 1.0 O A:HOH301 2.1 18.0 1.0 CE1 A:HIS93 3.0 13.0 1.0 C1A A:HEM201 3.0 11.4 1.0 C4A A:HEM201 3.0 10.6 1.0 C4B A:HEM201 3.0 10.6 1.0 C1B A:HEM201 3.1 10.6 1.0 C4D A:HEM201 3.1 12.3 1.0 C1D A:HEM201 3.1 12.3 1.0 C1C A:HEM201 3.1 11.1 1.0 C4C A:HEM201 3.1 12.0 1.0 CD2 A:HIS93 3.1 11.4 1.0 CHC A:HEM201 3.4 11.3 1.0 CHA A:HEM201 3.4 11.8 1.0 CHD A:HEM201 3.4 12.6 1.0 CHB A:HEM201 3.4 10.8 1.0 O A:HOH537 4.1 32.6 1.0 ND1 A:HIS93 4.2 13.1 1.0 C2A A:HEM201 4.2 12.1 1.0 C3A A:HEM201 4.3 11.7 1.0 C3D A:HEM201 4.3 13.2 1.0 CG A:HIS93 4.3 11.2 1.0 C3B A:HEM201 4.3 10.8 1.0 C2D A:HEM201 4.3 14.3 1.0 C2C A:HEM201 4.3 12.2 1.0 C2B A:HEM201 4.3 10.6 1.0 C3C A:HEM201 4.3 12.3 1.0 NE2 A:HIS64 4.5 16.5 1.0 CG2 A:VAL68 4.6 12.9 1.0 CE1 A:HIS64 4.9 19.5 1.0 C6 A:IPH202 4.9 17.3 0.8

X.Huang, C.Wang, L.R.Celeste, L.L.Lovelace, S.Sun, J.H.Dawson, L.Lebioda. Complex of Myoglobin with Phenol Bound in A Proximal Cavity. Acta Crystallogr.,Sect.F V. 68 1465 2012.
ISSN: ESSN 1744-3091
PubMed: 23192025
DOI: 10.1107/S1744309112045514