Iron in PDB 7v5p: The Dimeric Structure of G80A/H81A Myoglobin

The structure of The Dimeric Structure of G80A/H81A Myoglobin, PDB code: 7v5p was solved by C.Xie, S.Nagao, 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)	41.71 / 1.16
Space group	P 21 21 21
Cell size a, b, c (Å), α, β, γ (°)	57.527, 62.735, 83.355, 90, 90, 90
R / Rfree (%)	19.7 / 20.6

The binding sites of Iron atom in the The Dimeric Structure of G80A/H81A Myoglobin (pdb code 7v5p). 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 Myoglobin, PDB code: 7v5p:
Jump to Iron binding site number: 1; 2;

Iron binding site 1 out of 2 in the The Dimeric Structure of G80A/H81A 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 Myoglobin within 5.0Å range: probe atom residue distance (Å) B Occ A:Fe201 b:11.2 occ:1.00 FE A:HEM201 0.0 11.2 1.0 ND A:HEM201 1.9 11.4 1.0 NA A:HEM201 2.0 10.6 1.0 NC A:HEM201 2.1 10.7 1.0 NB A:HEM201 2.1 10.3 1.0 NE2 A:HIS93 2.1 14.0 1.0 O B:O201 2.2 11.5 1.0 C1D A:HEM201 3.0 11.7 1.0 C4D A:HEM201 3.0 11.9 1.0 C1A A:HEM201 3.0 12.3 1.0 C4C A:HEM201 3.0 10.9 1.0 C4A A:HEM201 3.0 11.1 1.0 C4B A:HEM201 3.1 10.6 1.0 CE1 A:HIS93 3.1 15.6 1.0 C1B A:HEM201 3.1 10.5 1.0 C1C A:HEM201 3.1 10.8 1.0 CD2 A:HIS93 3.2 14.7 1.0 CHD A:HEM201 3.4 11.8 1.0 CHA A:HEM201 3.4 11.8 1.0 CHB A:HEM201 3.4 10.6 1.0 CHC A:HEM201 3.5 10.7 1.0 ND1 A:HIS93 4.2 16.1 1.0 C2D A:HEM201 4.2 11.9 1.0 C2A A:HEM201 4.2 11.7 1.0 C3A A:HEM201 4.2 11.3 1.0 NE2 B:HIS64 4.2 17.3 1.0 C3D A:HEM201 4.3 11.4 1.0 C3C A:HEM201 4.3 11.3 1.0 C2C A:HEM201 4.3 11.1 1.0 CG A:HIS93 4.3 15.4 1.0 C2B A:HEM201 4.3 10.6 1.0 C3B A:HEM201 4.3 10.6 1.0 CG2 B:VAL68 4.7 15.0 1.0 CE1 B:HIS64 4.8 19.0 1.0 CD2 A:HIS97 5.0 16.9 1.0

Iron binding site 2 out of 2 in the The Dimeric Structure of G80A/H81A 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 Myoglobin within 5.0Å range: probe atom residue distance (Å) B Occ B:Fe202 b:10.2 occ:1.00 FE B:HEM202 0.0 10.2 1.0 ND B:HEM202 2.0 10.9 1.0 NA B:HEM202 2.0 11.2 1.0 NC B:HEM202 2.1 10.1 1.0 NB B:HEM202 2.1 9.8 1.0 NE2 B:HIS93 2.1 12.4 1.0 O A:O202 2.1 11.1 1.0 C1D B:HEM202 3.0 11.4 1.0 C4D B:HEM202 3.0 11.5 1.0 C4A B:HEM202 3.0 11.1 1.0 C4C B:HEM202 3.0 10.1 1.0 C1A B:HEM202 3.0 11.2 1.0 C4B B:HEM202 3.1 10.0 1.0 CE1 B:HIS93 3.1 13.6 1.0 C1B B:HEM202 3.1 10.5 1.0 C1C B:HEM202 3.1 9.7 1.0 CD2 B:HIS93 3.1 13.1 1.0 CHD B:HEM202 3.4 11.1 1.0 CHA B:HEM202 3.4 11.3 1.0 CHC B:HEM202 3.4 10.1 1.0 CHB B:HEM202 3.5 11.5 1.0 ND1 B:HIS93 4.2 14.1 1.0 C3A B:HEM202 4.2 12.2 1.0 C2D B:HEM202 4.2 12.0 1.0 C2A B:HEM202 4.2 12.2 1.0 C3D B:HEM202 4.3 12.1 1.0 C3C B:HEM202 4.3 10.2 1.0 CG B:HIS93 4.3 12.9 1.0 NE2 A:HIS64 4.3 14.5 1.0 C2C B:HEM202 4.3 10.2 1.0 C2B B:HEM202 4.3 10.6 1.0 C3B B:HEM202 4.3 10.0 1.0 CG2 A:VAL68 4.7 13.8 1.0 CE1 A:HIS64 4.8 15.2 1.0 CD2 B:HIS97 5.0 16.4 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