Iron in PDB 4h0b: Complex of G65T Myoglobin with Dmso in Its Distal Cavity

The structure of Complex of G65T Myoglobin with Dmso in Its Distal Cavity, PDB code: 4h0b was solved by L.Lebioda, L.L.Lovelace, L.R.Celeste, X.Huang, C.Wang, S.Shengfang, J.H.Dawson, with X-Ray Crystallography technique. A brief refinement statistics is given in the table below:

Resolution Low / High (Å)	32.02 / 1.26
Space group	P 6
Cell size a, b, c (Å), α, β, γ (°)	90.499, 90.499, 45.319, 90.00, 90.00, 120.00
R / Rfree (%)	12.7 / 15.3

The binding sites of Iron atom in the Complex of G65T Myoglobin with Dmso in Its Distal Cavity (pdb code 4h0b). 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 G65T Myoglobin with Dmso in Its Distal Cavity, PDB code: 4h0b:

Iron binding site 1 out of 1 in the Complex of G65T Myoglobin with Dmso in Its Distal 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 G65T Myoglobin with Dmso in Its Distal Cavity within 5.0Å range: probe atom residue distance (Å) B Occ A:Fe201 b:5.4 occ:1.00 FE A:HEM201 0.0 5.4 1.0 ND A:HEM201 2.0 6.0 1.0 NB A:HEM201 2.0 5.6 1.0 NA A:HEM201 2.0 5.8 1.0 NC A:HEM201 2.0 5.8 1.0 NE2 A:HIS93 2.1 5.6 1.0 O1 A:OXY202 2.1 7.1 1.0 CE1 A:HIS93 3.0 7.0 1.0 C4C A:HEM201 3.0 5.5 1.0 C1D A:HEM201 3.0 5.8 1.0 C4B A:HEM201 3.1 6.0 1.0 C4D A:HEM201 3.1 5.5 1.0 C4A A:HEM201 3.1 4.7 1.0 C1A A:HEM201 3.1 5.4 1.0 C1B A:HEM201 3.1 5.5 1.0 C1C A:HEM201 3.1 5.6 1.0 O2 A:OXY202 3.1 13.7 1.0 CD2 A:HIS93 3.1 6.0 1.0 CHD A:HEM201 3.4 6.0 1.0 CHC A:HEM201 3.4 6.2 1.0 CHB A:HEM201 3.4 5.2 1.0 CHA A:HEM201 3.4 5.7 1.0 C2 A:DMS203 3.5 32.0 1.0 ND1 A:HIS93 4.2 7.1 1.0 CG A:HIS93 4.2 6.2 1.0 C2D A:HEM201 4.3 6.9 1.0 C3C A:HEM201 4.3 6.3 1.0 C3D A:HEM201 4.3 6.8 1.0 C2C A:HEM201 4.3 5.9 1.0 C2A A:HEM201 4.3 5.6 1.0 C3B A:HEM201 4.3 5.8 1.0 C3A A:HEM201 4.3 5.2 1.0 C2B A:HEM201 4.3 5.8 1.0 NE2 A:HIS64 4.5 7.8 1.0 CG2 A:VAL68 4.7 7.0 1.0 CE1 A:HIS64 4.8 8.6 1.0 CD2 A:HIS97 5.0 8.0 1.0

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