Iron in PDB 6ltl: The Dimeric Structure of G80A Myoglobin

The structure of The Dimeric Structure of G80A Myoglobin, PDB code: 6ltl 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)	50.00 / 1.25
Space group	P 21 21 21
Cell size a, b, c (Å), α, β, γ (°)	57.902, 63.060, 83.514, 90.00, 90.00, 90.00
R / Rfree (%)	22.1 / 24.5

The binding sites of Iron atom in the The Dimeric Structure of G80A Myoglobin (pdb code 6ltl). 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 Myoglobin, PDB code: 6ltl:
Jump to Iron binding site number: 1; 2;

Iron binding site 1 out of 2 in the The Dimeric Structure of G80A 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 Myoglobin within 5.0Å range: probe atom residue distance (Å) B Occ A:Fe201 b:8.3 occ:1.00 FE A:HEM201 0.0 8.3 1.0 ND A:HEM201 2.0 8.6 1.0 NA A:HEM201 2.0 8.4 1.0 NC A:HEM201 2.0 7.8 1.0 NB A:HEM201 2.1 7.7 1.0 NE2 A:HIS93 2.1 8.7 1.0 O B:HOH311 2.2 10.0 1.0 CE1 A:HIS93 3.0 8.7 1.0 C1D A:HEM201 3.0 9.1 1.0 C4C A:HEM201 3.0 8.1 1.0 C4B A:HEM201 3.0 8.8 1.0 C4D A:HEM201 3.0 8.9 1.0 C1A A:HEM201 3.1 8.6 1.0 C1B A:HEM201 3.1 7.8 1.0 C4A A:HEM201 3.1 7.5 1.0 C1C A:HEM201 3.1 8.5 1.0 CD2 A:HIS93 3.2 8.0 1.0 CHD A:HEM201 3.4 9.3 1.0 CHB A:HEM201 3.4 7.5 1.0 CHA A:HEM201 3.5 9.5 1.0 CHC A:HEM201 3.5 9.2 1.0 ND1 A:HIS93 4.2 9.2 1.0 C2D A:HEM201 4.2 9.8 1.0 C3C A:HEM201 4.2 8.2 1.0 C2B A:HEM201 4.2 7.8 1.0 C2A A:HEM201 4.3 8.5 1.0 C3A A:HEM201 4.3 8.2 1.0 C3D A:HEM201 4.3 8.9 1.0 C2C A:HEM201 4.3 8.2 1.0 CG A:HIS93 4.3 9.2 1.0 NE2 B:HIS64 4.3 11.1 1.0 C3B A:HEM201 4.3 8.8 1.0 CG2 B:VAL68 4.7 8.0 1.0 CE1 B:HIS64 4.8 11.2 1.0 CD2 A:HIS97 5.0 10.7 1.0

Iron binding site 2 out of 2 in the The Dimeric Structure of G80A 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 Myoglobin within 5.0Å range: probe atom residue distance (Å) B Occ B:Fe201 b:8.6 occ:1.00 FE B:HEM201 0.0 8.6 1.0 NA B:HEM201 2.0 9.4 1.0 NC B:HEM201 2.0 9.0 1.0 ND B:HEM201 2.0 8.8 1.0 NB B:HEM201 2.0 8.8 1.0 NE2 B:HIS93 2.1 9.3 1.0 O A:HOH330 2.1 10.0 1.0 C1D B:HEM201 3.0 10.0 1.0 CE1 B:HIS93 3.0 9.9 1.0 C4C B:HEM201 3.0 8.2 1.0 C1B B:HEM201 3.0 8.6 1.0 C4A B:HEM201 3.0 9.8 1.0 C4D B:HEM201 3.0 10.7 1.0 C4B B:HEM201 3.0 8.3 1.0 C1C B:HEM201 3.1 8.3 1.0 C1A B:HEM201 3.1 10.6 1.0 CD2 B:HIS93 3.1 9.1 1.0 CHC B:HEM201 3.4 8.3 1.0 CHA B:HEM201 3.4 9.3 1.0 CHD B:HEM201 3.4 8.2 1.0 CHB B:HEM201 3.5 9.6 1.0 ND1 B:HIS93 4.2 10.0 1.0 C2B B:HEM201 4.2 8.2 1.0 C3D B:HEM201 4.2 10.6 1.0 C2D B:HEM201 4.2 9.9 1.0 C3C B:HEM201 4.3 8.5 1.0 CG B:HIS93 4.3 9.7 1.0 C2A B:HEM201 4.3 10.4 1.0 C3A B:HEM201 4.3 9.7 1.0 C2C B:HEM201 4.3 8.6 1.0 C3B B:HEM201 4.3 7.8 1.0 NE2 A:HIS64 4.3 10.2 1.0 CG2 A:VAL68 4.7 9.6 1.0 CE1 A:HIS64 4.8 10.0 1.0 CD2 B:HIS97 5.0 11.6 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