Iron in PDB 6ltm: The Dimeric Structure of G80A/H81A/H82A Myoglobin

The structure of The Dimeric Structure of G80A/H81A/H82A Myoglobin, PDB code: 6ltm was solved by S.Nagao, A.Suda, H.Kobayashi, N.Shibata, Y.Higuchi, S.Hirota, with X-Ray Crystallography technique. A brief refinement statistics is given in the table below:

Resolution Low / High (Å)	49.77 / 1.65
Space group	P 21 21 21
Cell size a, b, c (Å), α, β, γ (°)	55.225, 62.841, 81.532, 90.00, 90.00, 90.00
R / Rfree (%)	19.2 / 23.1

The binding sites of Iron atom in the The Dimeric Structure of G80A/H81A/H82A Myoglobin (pdb code 6ltm). This binding sites where shown within 5.0 Angstroms radius around Iron atom.
In total 2 binding sites of Iron where determined in the The Dimeric Structure of G80A/H81A/H82A Myoglobin, PDB code: 6ltm:
Jump to Iron binding site number: 1; 2;

Iron binding site 1 out of 2 in the The Dimeric Structure of G80A/H81A/H82A Myoglobin


Mono view


Stereo pair view

A full contact list of Iron with other atoms in the Fe binding site number 1 of The Dimeric Structure of G80A/H81A/H82A Myoglobin within 5.0Å range: probe atom residue distance (Å) B Occ A:Fe201 b:9.7 occ:1.00 FE A:HEM201 0.0 9.7 1.0 ND A:HEM201 2.0 9.9 1.0 NA A:HEM201 2.0 8.8 1.0 NC A:HEM201 2.0 9.4 1.0 NB A:HEM201 2.1 10.0 1.0 NE2 A:HIS93 2.1 10.1 1.0 O B:HOH324 2.1 11.8 1.0 C1D A:HEM201 3.0 10.4 1.0 C4B A:HEM201 3.0 9.6 1.0 C4D A:HEM201 3.0 10.2 1.0 C1A A:HEM201 3.0 10.0 1.0 CE1 A:HIS93 3.0 11.0 1.0 C4C A:HEM201 3.0 10.4 1.0 C1B A:HEM201 3.1 9.4 1.0 C1C A:HEM201 3.1 9.4 1.0 C4A A:HEM201 3.1 9.8 1.0 CD2 A:HIS93 3.1 9.6 1.0 CHD A:HEM201 3.4 10.5 1.0 CHC A:HEM201 3.4 9.8 1.0 CHA A:HEM201 3.4 9.9 1.0 CHB A:HEM201 3.4 9.1 1.0 ND1 A:HIS93 4.1 10.5 1.0 CG A:HIS93 4.2 10.6 1.0 C2A A:HEM201 4.2 9.3 1.0 C3A A:HEM201 4.2 9.2 1.0 C2B A:HEM201 4.2 9.6 1.0 C2D A:HEM201 4.3 11.3 1.0 C3D A:HEM201 4.3 11.2 1.0 C2C A:HEM201 4.3 9.7 1.0 C3B A:HEM201 4.3 9.7 1.0 C3C A:HEM201 4.3 10.0 1.0 NE2 B:HIS64 4.4 11.3 1.0 CG2 B:VAL68 4.7 9.6 1.0 CE1 B:HIS64 4.8 12.0 1.0 CD2 A:HIS97 5.0 12.5 1.0

Iron binding site 2 out of 2 in the The Dimeric Structure of G80A/H81A/H82A Myoglobin


Mono view


Stereo pair view

A full contact list of Iron with other atoms in the Fe binding site number 2 of The Dimeric Structure of G80A/H81A/H82A Myoglobin within 5.0Å range: probe atom residue distance (Å) B Occ B:Fe201 b:11.0 occ:1.00 FE B:HEM201 0.0 11.0 1.0 NA B:HEM201 2.0 11.4 1.0 NC B:HEM201 2.0 10.6 1.0 NB B:HEM201 2.1 8.8 1.0 ND B:HEM201 2.1 11.1 1.0 NE2 B:HIS93 2.1 13.1 1.0 O A:HOH324 2.1 15.1 1.0 C1D B:HEM201 3.0 11.5 1.0 C4D B:HEM201 3.0 13.1 1.0 C4B B:HEM201 3.0 9.9 1.0 C4C B:HEM201 3.0 9.8 1.0 C4A B:HEM201 3.0 11.6 1.0 CE1 B:HIS93 3.1 13.8 1.0 C1B B:HEM201 3.1 10.5 1.0 C1A B:HEM201 3.1 12.1 1.0 C1C B:HEM201 3.1 9.7 1.0 CD2 B:HIS93 3.2 13.0 1.0 CHD B:HEM201 3.4 11.6 1.0 CHA B:HEM201 3.4 11.6 1.0 CHC B:HEM201 3.4 9.6 1.0 CHB B:HEM201 3.5 11.1 1.0 ND1 B:HIS93 4.2 12.2 1.0 C2D B:HEM201 4.3 12.3 1.0 C3A B:HEM201 4.3 12.3 1.0 C3D B:HEM201 4.3 13.4 1.0 C3C B:HEM201 4.3 11.2 1.0 C2B B:HEM201 4.3 9.5 1.0 CG B:HIS93 4.3 12.1 1.0 C3B B:HEM201 4.3 9.5 1.0 C2C B:HEM201 4.3 10.0 1.0 C2A B:HEM201 4.3 12.9 1.0 NE2 A:HIS64 4.3 14.3 1.0 CG2 A:VAL68 4.8 11.6 1.0 CZ A:PHE43 4.8 14.1 1.0 CE1 A:HIS64 4.8 15.1 1.0

S.Nagao, A.Suda, H.Kobayashi, N.Shibata, Y.Higuchi, S.Hirota. Thermodynamic Control of Domain Swapping By Modulating Helical Propensity in the Hinge Region of Myoglobin. Chem Asian J 2020.
ISSN: ESSN 1861-471X
PubMed: 32329228
DOI: 10.1002/ASIA.202000307