Iron in PDB 7ddt: Ancestral Myoglobin Ambse of Enaliarctos Relative (Imidazol Ligand)

The structure of Ancestral Myoglobin Ambse of Enaliarctos Relative (Imidazol Ligand), PDB code: 7ddt was solved by Y.Isogai, H.Imamura, S.Nakae, T.Sumi, K.Takahashi, T.Shirai, with X-Ray Crystallography technique. A brief refinement statistics is given in the table below:

Resolution Low / High (Å)	20.00 / 2.90
Space group	P 31 2 1
Cell size a, b, c (Å), α, β, γ (°)	115.36, 115.36, 35, 90, 90, 120
R / Rfree (%)	18.8 / 25.8

The binding sites of Iron atom in the Ancestral Myoglobin Ambse of Enaliarctos Relative (Imidazol Ligand) (pdb code 7ddt). This binding sites where shown within 5.0 Angstroms radius around Iron atom.
In total only one binding site of Iron was determined in the Ancestral Myoglobin Ambse of Enaliarctos Relative (Imidazol Ligand), PDB code: 7ddt:

Iron binding site 1 out of 1 in the Ancestral Myoglobin Ambse of Enaliarctos Relative (Imidazol Ligand)


Mono view


Stereo pair view

A full contact list of Iron with other atoms in the Fe binding site number 1 of Ancestral Myoglobin Ambse of Enaliarctos Relative (Imidazol Ligand) within 5.0Å range: probe atom residue distance (Å) B Occ A:Fe201 b:10.4 occ:1.00 FE A:HEM201 0.0 10.4 1.0 ND A:HEM201 1.9 16.3 1.0 NA A:HEM201 2.0 15.3 1.0 NB A:HEM201 2.0 23.0 1.0 NC A:HEM201 2.0 9.4 1.0 NE2 A:HIS93 2.0 9.8 1.0 N3 A:IMD202 2.3 14.2 1.0 CE1 A:HIS93 2.8 13.6 1.0 HE1 A:HIS93 2.9 16.4 1.0 C1D A:HEM201 2.9 16.7 1.0 C1B A:HEM201 3.0 26.4 1.0 C4D A:HEM201 3.0 24.3 1.0 C4C A:HEM201 3.0 10.1 1.0 C4A A:HEM201 3.0 19.8 1.0 C1A A:HEM201 3.0 19.8 1.0 C4B A:HEM201 3.1 22.9 1.0 C1C A:HEM201 3.1 19.4 1.0 C2 A:IMD202 3.1 20.2 1.0 H2 A:IMD202 3.1 24.4 1.0 CD2 A:HIS93 3.2 20.8 1.0 CHB A:HEM201 3.3 29.0 1.0 CHA A:HEM201 3.4 22.1 1.0 CHD A:HEM201 3.4 11.2 1.0 C4 A:IMD202 3.4 14.2 1.0 HD2 A:HIS93 3.5 25.0 1.0 CHC A:HEM201 3.5 15.8 1.0 H4 A:IMD202 3.7 17.1 1.0 ND1 A:HIS93 4.0 13.2 1.0 HG21 A:VAL68 4.1 31.1 1.0 C2D A:HEM201 4.2 10.0 1.0 CG A:HIS93 4.2 9.6 1.0 C3D A:HEM201 4.2 9.9 1.0 C2B A:HEM201 4.2 10.5 1.0 C3C A:HEM201 4.2 20.9 1.0 C3A A:HEM201 4.2 23.6 1.0 C2A A:HEM201 4.2 20.5 1.0 C3B A:HEM201 4.3 10.8 1.0 C2C A:HEM201 4.3 27.2 1.0 HHB A:HEM201 4.3 34.9 1.0 HHA A:HEM201 4.3 26.6 1.0 N1 A:IMD202 4.3 26.8 1.0 HHD A:HEM201 4.3 13.6 1.0 HHC A:HEM201 4.4 19.0 1.0 C5 A:IMD202 4.5 25.1 1.0 HG13 A:ILE99 4.7 19.8 1.0 HD2 A:HIS97 5.0 18.1 1.0 HB A:VAL68 5.0 33.5 1.0 CG2 A:VAL68 5.0 25.8 1.0

Y.Isogai, H.Imamura, S.Nakae, T.Sumi, K.I.Takahashi, T.Shirai. Common and Unique Strategies of Myoglobin Evolution For Deep-Sea Adaptation of Diving Mammals. Iscience V. 24 02920 2021.
ISSN: ESSN 2589-0042
PubMed: 34430810
DOI: 10.1016/J.ISCI.2021.102920