Iron in PDB 1a7e: Hydroxomet Myohemerythrin From Themiste Zostericola

The structure of Hydroxomet Myohemerythrin From Themiste Zostericola, PDB code: 1a7e was solved by L.J.Martins, C.P.Hill, W.R.Ellis Junior, with X-Ray Crystallography technique. A brief refinement statistics is given in the table below:

Resolution Low / High (Å)	10.00 / 1.80
Space group	P 21 21 21
Cell size a, b, c (Å), α, β, γ (°)	41.885, 81.170, 36.685, 90.00, 90.00, 90.00
R / Rfree (%)	18.6 / 22.7

The structure of Hydroxomet Myohemerythrin From Themiste Zostericola also contains other interesting chemical elements:

Chlorine

(Cl)

2 atoms

The binding sites of Iron atom in the Hydroxomet Myohemerythrin From Themiste Zostericola (pdb code 1a7e). This binding sites where shown within 5.0 Angstroms radius around Iron atom.
In total 2 binding sites of Iron where determined in the Hydroxomet Myohemerythrin From Themiste Zostericola, PDB code: 1a7e:
Jump to Iron binding site number: 1; 2;

Iron binding site 1 out of 2 in the Hydroxomet Myohemerythrin From Themiste Zostericola


Mono view


Stereo pair view

A full contact list of Iron with other atoms in the Fe binding site number 1 of Hydroxomet Myohemerythrin From Themiste Zostericola within 5.0Å range: probe atom residue distance (Å) B Occ A:Fe119 b:7.0 occ:1.00 FE1 A:OFO119 0.0 7.0 1.0 O A:OFO119 1.8 6.7 1.0 OE1 A:GLU58 2.1 6.4 1.0 OD1 A:ASP111 2.1 4.9 1.0 NE2 A:HIS106 2.2 6.8 1.0 NE2 A:HIS77 2.2 7.1 1.0 NE2 A:HIS73 2.2 6.2 1.0 CD A:GLU58 3.0 6.4 1.0 CE1 A:HIS77 3.0 6.7 1.0 CG A:ASP111 3.1 5.7 1.0 CD2 A:HIS106 3.1 6.6 1.0 CE1 A:HIS106 3.1 7.6 1.0 CE1 A:HIS73 3.1 4.9 1.0 OE2 A:GLU58 3.2 7.5 1.0 FE2 A:OFO119 3.2 7.3 1.0 CD2 A:HIS73 3.3 5.9 1.0 CD2 A:HIS77 3.3 5.8 1.0 OD2 A:ASP111 3.4 6.7 1.0 ND1 A:HIS77 4.2 5.2 1.0 ND1 A:HIS106 4.3 5.8 1.0 CG A:HIS106 4.3 6.4 1.0 ND1 A:HIS73 4.3 5.0 1.0 CG A:HIS77 4.3 5.9 1.0 OH A:OFO119 4.4 8.5 1.0 CG A:HIS73 4.4 6.0 1.0 CG A:GLU58 4.4 6.1 1.0 CB A:ASP111 4.5 5.4 1.0 CE1 A:PHE55 4.5 5.4 1.0 NE2 A:HIS54 4.6 5.9 1.0 CD1 A:PHE55 4.7 5.0 1.0 HO A:OFO119 4.7 0.0 1.0 H A:ASP111 4.9 0.0 1.0 H1 A:HOH355 4.9 0.0 1.0 CA A:ASP111 4.9 5.2 1.0 CE2 A:TYR114 5.0 7.0 1.0

Iron binding site 2 out of 2 in the Hydroxomet Myohemerythrin From Themiste Zostericola


Mono view


Stereo pair view

A full contact list of Iron with other atoms in the Fe binding site number 2 of Hydroxomet Myohemerythrin From Themiste Zostericola within 5.0Å range: probe atom residue distance (Å) B Occ A:Fe119 b:7.3 occ:1.00 FE2 A:OFO119 0.0 7.3 1.0 O A:OFO119 1.8 6.7 1.0 OD2 A:ASP111 2.1 6.7 1.0 OE2 A:GLU58 2.1 7.5 1.0 NE2 A:HIS54 2.2 5.9 1.0 OH A:OFO119 2.2 8.5 1.0 NE2 A:HIS25 2.2 7.3 1.0 HO A:OFO119 2.8 0.0 1.0 CG A:ASP111 3.0 5.7 1.0 CD A:GLU58 3.1 6.4 1.0 CE1 A:HIS54 3.1 5.8 1.0 CE1 A:HIS25 3.1 7.5 1.0 CD2 A:HIS54 3.1 5.3 1.0 CD2 A:HIS25 3.2 7.0 1.0 FE1 A:OFO119 3.2 7.0 1.0 OD1 A:ASP111 3.3 4.9 1.0 OE1 A:GLU58 3.4 6.4 1.0 OH A:TYR114 4.2 6.5 1.0 ND1 A:HIS54 4.2 5.5 1.0 CD2 A:HIS106 4.3 6.6 1.0 ND1 A:HIS25 4.3 7.7 1.0 CG A:HIS54 4.3 5.2 1.0 CB A:ASP111 4.3 5.4 1.0 CG A:HIS25 4.3 7.2 1.0 NE2 A:HIS106 4.3 6.8 1.0 H1 A:HOH355 4.4 0.0 1.0 CG A:GLU58 4.4 6.1 1.0 O A:HOH355 4.4 26.5 1.0 CG1 A:ILE107 4.7 4.8 1.0 HH A:TYR114 4.7 0.0 1.0 NE2 A:HIS77 4.8 7.1 1.0 CE1 A:PHE55 4.8 5.4 1.0 CB A:GLU58 4.9 6.5 1.0 H2 A:HOH355 5.0 0.0 1.0 CD1 A:PHE55 5.0 5.0 1.0

L.J.Martins, C.P.Hill, W.R.Ellis Jr.. Structures of Wild-Type Chloromet and L103N Hydroxomet Themiste Zostericola Myohemerythrins at 1.8 A Resolution. Biochemistry V. 36 7044 1997.
ISSN: ISSN 0006-2960
PubMed: 9188702
DOI: 10.1021/BI9630422