Iron in PDB 2grz: 5NS Photoproduct of the M37V Mutant of Scapharca Hbi

The structure of 5NS Photoproduct of the M37V Mutant of Scapharca Hbi, PDB code: 2grz 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)	16.85 / 1.60
Space group	C 1 2 1
Cell size a, b, c (Å), α, β, γ (°)	93.040, 43.930, 83.440, 90.00, 121.95, 90.00
R / Rfree (%)	10.6 / 10.9

The binding sites of Iron atom in the 5NS Photoproduct of the M37V Mutant of Scapharca Hbi (pdb code 2grz). This binding sites where shown within 5.0 Angstroms radius around Iron atom.
In total 2 binding sites of Iron where determined in the 5NS Photoproduct of the M37V Mutant of Scapharca Hbi, PDB code: 2grz:
Jump to Iron binding site number: 1; 2;

Iron binding site 1 out of 2 in the 5NS Photoproduct of the M37V Mutant of Scapharca Hbi


Mono view


Stereo pair view

A full contact list of Iron with other atoms in the Fe binding site number 1 of 5NS Photoproduct of the M37V Mutant of Scapharca Hbi within 5.0Å range: probe atom residue distance (Å) B Occ A:Fe147 b:12.0 occ:0.67 FE A:HEM147 0.0 12.0 0.7 C A:CMO148 1.9 11.4 0.7 ND A:HEM147 2.0 11.1 0.7 NB A:HEM147 2.0 10.5 0.7 NC A:HEM147 2.0 12.0 0.7 NA A:HEM147 2.0 11.0 0.7 NE2 A:HIS101 2.0 12.0 0.7 CE1 A:HIS101 3.0 11.0 0.7 C1D A:HEM147 3.0 12.9 0.7 C1B A:HEM147 3.1 11.5 0.7 C4B A:HEM147 3.1 11.3 0.7 C4D A:HEM147 3.1 12.7 0.7 C1C A:HEM147 3.1 10.6 0.7 C4C A:HEM147 3.1 11.8 0.7 C1A A:HEM147 3.1 11.3 0.7 C4A A:HEM147 3.1 11.1 0.7 O A:CMO148 3.1 15.0 0.7 CD2 A:HIS101 3.1 12.0 0.7 CHD A:HEM147 3.4 12.2 0.7 CHC A:HEM147 3.4 11.0 0.7 CHA A:HEM147 3.4 10.9 0.7 CHB A:HEM147 3.4 11.3 0.7 ND1 A:HIS101 4.2 12.6 0.7 CG A:HIS101 4.2 12.0 0.7 C2D A:HEM147 4.3 12.8 0.7 C2B A:HEM147 4.3 12.7 0.7 C3D A:HEM147 4.3 13.3 0.7 C2C A:HEM147 4.3 11.7 0.7 C3B A:HEM147 4.3 12.3 0.7 C2A A:HEM147 4.3 10.6 0.7 C3A A:HEM147 4.3 11.7 0.7 C3C A:HEM147 4.3 12.3 0.7 CE1 A:HIS69 4.7 15.0 0.7 CD1 A:LEU73 4.8 16.5 0.7 CE1 A:PHE111 4.9 14.8 0.7

Iron binding site 2 out of 2 in the 5NS Photoproduct of the M37V Mutant of Scapharca Hbi


Mono view


Stereo pair view

A full contact list of Iron with other atoms in the Fe binding site number 2 of 5NS Photoproduct of the M37V Mutant of Scapharca Hbi within 5.0Å range: probe atom residue distance (Å) B Occ B:Fe147 b:11.8 occ:0.63 FE B:HEM147 0.0 11.8 0.6 C B:CMO148 1.8 9.9 0.6 NB B:HEM147 2.0 9.9 0.6 ND B:HEM147 2.0 10.3 0.6 NC B:HEM147 2.0 10.4 0.6 NA B:HEM147 2.0 10.1 0.6 NE2 B:HIS101 2.1 11.2 0.6 O B:CMO148 3.0 12.6 0.6 CE1 B:HIS101 3.0 10.5 0.6 C4B B:HEM147 3.0 10.0 0.6 C1C B:HEM147 3.0 10.1 0.6 C4D B:HEM147 3.0 10.4 0.6 C1A B:HEM147 3.0 11.0 0.6 C1D B:HEM147 3.1 11.7 0.6 C1B B:HEM147 3.1 10.9 0.6 C4C B:HEM147 3.1 11.5 0.6 C4A B:HEM147 3.1 11.0 0.6 CD2 B:HIS101 3.1 10.6 0.6 CHC B:HEM147 3.4 10.7 0.6 CHA B:HEM147 3.4 11.0 0.6 CHD B:HEM147 3.5 11.2 0.6 CHB B:HEM147 3.5 11.0 0.6 ND1 B:HIS101 4.2 10.9 0.6 CG B:HIS101 4.2 10.8 0.6 C3D B:HEM147 4.3 12.0 0.6 C2B B:HEM147 4.3 11.6 0.6 C2C B:HEM147 4.3 11.1 0.6 C2A B:HEM147 4.3 11.6 0.6 C2D B:HEM147 4.3 12.0 0.6 C3B B:HEM147 4.3 11.3 0.6 C3A B:HEM147 4.3 11.6 0.6 C3C B:HEM147 4.3 11.1 0.6 CE1 B:HIS69 4.8 12.4 0.6 CD1 B:LEU73 4.9 14.4 0.6

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