Iron in PDB 2grf: Crystal Structure of Scapharca Inaequivalvis Hbi, M37V Mutant in the Absence of Ligand

The structure of Crystal Structure of Scapharca Inaequivalvis Hbi, M37V Mutant in the Absence of Ligand, PDB code: 2grf was solved by J.E.Knapp, R.Pahl, V.Srajer, W.E.Royer Jr., with X-Ray Crystallography technique. A brief refinement statistics is given in the table below:

Resolution Low / High (Å)	30.75 / 2.10
Space group	C 2 2 21
Cell size a, b, c (Å), α, β, γ (°)	91.740, 44.510, 144.050, 90.00, 90.00, 90.00
R / Rfree (%)	18.4 / 22.9

The binding sites of Iron atom in the Crystal Structure of Scapharca Inaequivalvis Hbi, M37V Mutant in the Absence of Ligand (pdb code 2grf). This binding sites where shown within 5.0 Angstroms radius around Iron atom.
In total 2 binding sites of Iron where determined in the Crystal Structure of Scapharca Inaequivalvis Hbi, M37V Mutant in the Absence of Ligand, PDB code: 2grf:
Jump to Iron binding site number: 1; 2;

Iron binding site 1 out of 2 in the Crystal Structure of Scapharca Inaequivalvis Hbi, M37V Mutant in the Absence of Ligand


Mono view


Stereo pair view

A full contact list of Iron with other atoms in the Fe binding site number 1 of Crystal Structure of Scapharca Inaequivalvis Hbi, M37V Mutant in the Absence of Ligand within 5.0Å range: probe atom residue distance (Å) B Occ A:Fe147 b:18.4 occ:1.00 FE A:HEM147 0.0 18.4 1.0 ND A:HEM147 2.0 16.3 1.0 NC A:HEM147 2.0 16.2 1.0 NA A:HEM147 2.0 15.8 1.0 NB A:HEM147 2.0 12.9 1.0 NE2 A:HIS101 2.0 18.7 1.0 CE1 A:HIS101 3.0 11.8 1.0 C1D A:HEM147 3.0 16.0 1.0 C4D A:HEM147 3.1 13.9 1.0 C4C A:HEM147 3.1 12.6 1.0 C1C A:HEM147 3.1 15.9 1.0 C1A A:HEM147 3.1 11.7 1.0 C4A A:HEM147 3.1 14.5 1.0 C1B A:HEM147 3.1 14.8 1.0 C4B A:HEM147 3.1 16.4 1.0 CD2 A:HIS101 3.1 18.7 1.0 CHD A:HEM147 3.4 14.6 1.0 CHA A:HEM147 3.5 7.9 1.0 CHC A:HEM147 3.5 16.3 1.0 CHB A:HEM147 3.5 9.9 1.0 O A:HOH150 3.8 18.4 1.0 ND1 A:HIS101 4.1 19.2 1.0 CG A:HIS101 4.2 17.6 1.0 C2D A:HEM147 4.3 15.8 1.0 C3A A:HEM147 4.3 11.4 1.0 C3D A:HEM147 4.3 14.6 1.0 C2A A:HEM147 4.3 12.9 1.0 C2C A:HEM147 4.3 15.5 1.0 C2B A:HEM147 4.3 15.7 1.0 C3B A:HEM147 4.3 12.9 1.0 C3C A:HEM147 4.3 17.1 1.0 CE1 A:HIS69 4.5 20.2 1.0 CZ A:PHE97 4.9 14.5 1.0 NE2 A:HIS69 5.0 13.8 1.0

Iron binding site 2 out of 2 in the Crystal Structure of Scapharca Inaequivalvis Hbi, M37V Mutant in the Absence of Ligand


Mono view


Stereo pair view

A full contact list of Iron with other atoms in the Fe binding site number 2 of Crystal Structure of Scapharca Inaequivalvis Hbi, M37V Mutant in the Absence of Ligand within 5.0Å range: probe atom residue distance (Å) B Occ B:Fe147 b:13.8 occ:1.00 FE B:HEM147 0.0 13.8 1.0 ND B:HEM147 2.0 14.2 1.0 NA B:HEM147 2.0 15.0 1.0 NC B:HEM147 2.0 15.1 1.0 NB B:HEM147 2.0 14.6 1.0 NE2 B:HIS101 2.0 14.0 1.0 CE1 B:HIS101 3.0 14.6 1.0 C1D B:HEM147 3.0 15.3 1.0 C4A B:HEM147 3.0 15.4 1.0 C4C B:HEM147 3.1 15.8 1.0 C1A B:HEM147 3.1 10.5 1.0 C4D B:HEM147 3.1 18.6 1.0 CD2 B:HIS101 3.1 10.9 1.0 C1B B:HEM147 3.1 12.3 1.0 C1C B:HEM147 3.1 13.7 1.0 C4B B:HEM147 3.1 9.7 1.0 CHD B:HEM147 3.4 11.4 1.0 CHB B:HEM147 3.4 9.1 1.0 CHA B:HEM147 3.5 8.6 1.0 CHC B:HEM147 3.5 9.7 1.0 O B:HOH152 3.9 20.0 1.0 ND1 B:HIS101 4.1 11.1 1.0 CG B:HIS101 4.2 14.4 1.0 C3A B:HEM147 4.3 12.5 1.0 C2D B:HEM147 4.3 19.7 1.0 C2A B:HEM147 4.3 10.1 1.0 C3D B:HEM147 4.3 18.9 1.0 C2B B:HEM147 4.3 10.8 1.0 C2C B:HEM147 4.3 16.8 1.0 C3C B:HEM147 4.3 16.7 1.0 C3B B:HEM147 4.3 14.2 1.0 CE1 B:HIS69 4.5 10.5 1.0 CZ B:PHE97 4.8 13.1 1.0 NE2 B:HIS69 5.0 12.1 1.0 NH1 B:ARG104 5.0 29.2 1.0

J.E.Knapp, R.Pahl, V.Srajer, W.E.Royer Jr.. Allosteric Action in Real Time: Time-Resolved Crystallographic Studies of A Cooperative Dimeric Hemoglobin. Proc.Natl.Acad.Sci.Usa V. 103 7649 2006.
ISSN: ISSN 0027-8424
PubMed: 16684887
DOI: 10.1073/PNAS.0509411103