Iron in PDB 7v5q: The Dimeric Structure of G80A/H81A/L137E Myoglobin

The structure of The Dimeric Structure of G80A/H81A/L137E Myoglobin, PDB code: 7v5q was solved by C.Xie, H.Komori, S.Hirota, with X-Ray Crystallography technique. A brief refinement statistics is given in the table below:

Resolution Low / High (Å)	47.32 / 1.38
Space group	P 21 21 21
Cell size a, b, c (Å), α, β, γ (°)	57.46, 63.03, 83.43, 90, 90, 90
R / Rfree (%)	16.5 / 20.5

The binding sites of Iron atom in the The Dimeric Structure of G80A/H81A/L137E Myoglobin (pdb code 7v5q). 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/L137E Myoglobin, PDB code: 7v5q:
Jump to Iron binding site number: 1; 2;

Iron binding site 1 out of 2 in the The Dimeric Structure of G80A/H81A/L137E 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/L137E Myoglobin within 5.0Å range: probe atom residue distance (Å) B Occ A:Fe201 b:18.3 occ:1.00 FE A:HEM201 0.0 18.3 1.0 ND A:HEM201 1.9 20.5 1.0 NA A:HEM201 2.0 17.8 1.0 O A:HOH314 2.0 19.5 1.0 NE2 A:HIS93 2.1 18.9 1.0 NC A:HEM201 2.1 18.2 1.0 NB A:HEM201 2.1 17.7 1.0 C4D A:HEM201 3.0 19.2 1.0 C1D A:HEM201 3.0 19.5 1.0 C1A A:HEM201 3.0 19.0 1.0 C4B A:HEM201 3.0 17.5 1.0 CE1 A:HIS93 3.0 19.9 1.0 C4A A:HEM201 3.1 17.6 1.0 C4C A:HEM201 3.1 18.2 1.0 C1B A:HEM201 3.1 17.3 1.0 CD2 A:HIS93 3.1 20.0 1.0 C1C A:HEM201 3.1 17.7 1.0 CHA A:HEM201 3.4 19.6 1.0 CHD A:HEM201 3.4 19.4 1.0 CHC A:HEM201 3.5 17.8 1.0 CHB A:HEM201 3.5 16.6 1.0 ND1 A:HIS93 4.2 20.6 1.0 CG A:HIS93 4.2 21.2 1.0 C2A A:HEM201 4.2 19.2 1.0 C2D A:HEM201 4.2 20.2 1.0 C3A A:HEM201 4.2 17.3 1.0 C3D A:HEM201 4.3 20.3 1.0 C2B A:HEM201 4.3 16.1 1.0 C3B A:HEM201 4.3 16.3 1.0 C2C A:HEM201 4.3 18.2 1.0 C3C A:HEM201 4.3 19.5 1.0 NE2 B:HIS64 4.3 21.3 1.0 CG2 B:VAL68 4.7 18.4 1.0 CE1 B:HIS64 4.8 22.3 1.0 CD2 A:HIS97 4.9 22.2 1.0

Iron binding site 2 out of 2 in the The Dimeric Structure of G80A/H81A/L137E 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/L137E Myoglobin within 5.0Å range: probe atom residue distance (Å) B Occ B:Fe201 b:15.4 occ:1.00 FE B:HEM201 0.0 15.4 1.0 ND B:HEM201 1.9 17.2 1.0 NA B:HEM201 2.0 15.3 1.0 NC B:HEM201 2.1 14.3 1.0 NB B:HEM201 2.1 15.2 1.0 NE2 B:HIS93 2.1 14.1 1.0 O B:HOH327 2.1 16.4 1.0 C4D B:HEM201 3.0 15.9 1.0 C1D B:HEM201 3.0 15.4 1.0 C1A B:HEM201 3.0 16.6 1.0 C4B B:HEM201 3.0 14.7 1.0 CE1 B:HIS93 3.0 16.2 1.0 C4C B:HEM201 3.0 15.3 1.0 C4A B:HEM201 3.0 15.3 1.0 C1B B:HEM201 3.1 14.5 1.0 C1C B:HEM201 3.1 14.9 1.0 CD2 B:HIS93 3.1 15.5 1.0 CHA B:HEM201 3.4 16.3 1.0 CHD B:HEM201 3.4 14.8 1.0 CHB B:HEM201 3.4 14.4 1.0 CHC B:HEM201 3.5 14.8 1.0 ND1 B:HIS93 4.2 16.6 1.0 C2D B:HEM201 4.2 16.8 1.0 C3D B:HEM201 4.2 18.5 1.0 C2A B:HEM201 4.2 17.5 1.0 C3A B:HEM201 4.2 16.1 1.0 CG B:HIS93 4.3 15.5 1.0 C3C B:HEM201 4.3 15.2 1.0 C2B B:HEM201 4.3 14.3 1.0 C2C B:HEM201 4.3 14.7 1.0 C3B B:HEM201 4.3 14.4 1.0 NE2 A:HIS64 4.3 17.9 1.0 CG2 A:VAL68 4.7 16.4 1.0 CE1 A:HIS64 4.8 19.1 1.0 CD2 B:HIS97 4.9 18.9 1.0

C.Xie, H.Shimoyama, M.Yamanaka, S.Nagao, H.Komori, N.Shibata, Y.Higuchi, Y.Shigeta, S.Hirota. Experimental and Theoretical Study on Converting Myoglobin Into A Stable Domain-Swapped Dimer By Utilizing A Tight Hydrogen Bond Network at the Hinge Region. Rsc Adv V. 11 37604 2021.
ISSN: ESSN 2046-2069
PubMed: 35496441
DOI: 10.1039/D1RA06888A