Iron in PDB 4jyq: Dhp-Co Crystal Structure

The structure of Dhp-Co Crystal Structure, PDB code: 4jyq was solved by J.Zhao, V.Srajer, S.Franzen, with X-Ray Crystallography technique. A brief refinement statistics is given in the table below:

Resolution Low / High (Å)	48.77 / 1.80
Space group	P 21 21 21
Cell size a, b, c (Å), α, β, γ (°)	58.900, 68.590, 69.350, 90.00, 90.00, 90.00
R / Rfree (%)	15.9 / 21.2

The binding sites of Iron atom in the Dhp-Co Crystal Structure (pdb code 4jyq). This binding sites where shown within 5.0 Angstroms radius around Iron atom.
In total 2 binding sites of Iron where determined in the Dhp-Co Crystal Structure, PDB code: 4jyq:
Jump to Iron binding site number: 1; 2;

Iron binding site 1 out of 2 in the Dhp-Co Crystal Structure


Mono view


Stereo pair view

A full contact list of Iron with other atoms in the Fe binding site number 1 of Dhp-Co Crystal Structure within 5.0Å range: probe atom residue distance (Å) B Occ A:Fe201 b:18.5 occ:1.00 FE A:HEM201 0.0 18.5 1.0 C A:CMO202 2.0 18.0 1.0 NA A:HEM201 2.0 16.9 1.0 NC A:HEM201 2.1 17.7 1.0 NB A:HEM201 2.1 16.5 1.0 ND A:HEM201 2.1 14.9 1.0 NE2 A:HIS89 2.1 17.4 1.0 C4A A:HEM201 3.0 19.5 1.0 C1C A:HEM201 3.0 15.1 1.0 CD2 A:HIS89 3.1 16.6 1.0 C1B A:HEM201 3.1 16.6 1.0 O A:CMO202 3.1 19.2 1.0 C4B A:HEM201 3.1 15.6 1.0 C1A A:HEM201 3.1 19.9 1.0 C4D A:HEM201 3.1 15.1 1.0 C1D A:HEM201 3.1 16.2 1.0 C4C A:HEM201 3.1 13.2 1.0 CE1 A:HIS89 3.1 15.6 1.0 CHB A:HEM201 3.4 17.4 1.0 CHC A:HEM201 3.4 14.8 1.0 CHA A:HEM201 3.5 15.6 1.0 CHD A:HEM201 3.5 14.2 1.0 CG A:HIS89 4.2 21.5 1.0 ND1 A:HIS89 4.2 19.1 1.0 C2C A:HEM201 4.3 12.4 1.0 C3A A:HEM201 4.3 18.2 1.0 C3C A:HEM201 4.3 13.9 1.0 C2A A:HEM201 4.3 21.2 1.0 C3B A:HEM201 4.3 14.8 1.0 C2B A:HEM201 4.3 17.1 1.0 C2D A:HEM201 4.3 16.6 1.0 C3D A:HEM201 4.3 16.2 1.0 CG2 A:VAL59 4.6 10.5 1.0 CG1 A:VAL59 4.7 14.4 1.0 CE A:MET86 5.0 20.7 1.0

Iron binding site 2 out of 2 in the Dhp-Co Crystal Structure


Mono view


Stereo pair view

A full contact list of Iron with other atoms in the Fe binding site number 2 of Dhp-Co Crystal Structure within 5.0Å range: probe atom residue distance (Å) B Occ B:Fe201 b:16.5 occ:1.00 FE B:HEM201 0.0 16.5 1.0 NC B:HEM201 2.0 15.5 1.0 C B:CMO202 2.0 16.7 1.0 NA B:HEM201 2.0 14.8 1.0 NB B:HEM201 2.1 12.1 1.0 ND B:HEM201 2.2 15.4 1.0 NE2 B:HIS89 2.2 18.0 1.0 C4C B:HEM201 3.0 14.6 1.0 C4A B:HEM201 3.0 13.2 1.0 C1C B:HEM201 3.1 15.2 1.0 C4B B:HEM201 3.1 13.6 1.0 O B:CMO202 3.1 20.4 1.0 C1B B:HEM201 3.1 13.2 1.0 C1A B:HEM201 3.1 17.7 1.0 C1D B:HEM201 3.1 18.6 1.0 C4D B:HEM201 3.2 18.8 1.0 CD2 B:HIS89 3.2 17.6 1.0 CE1 B:HIS89 3.2 20.9 1.0 CHD B:HEM201 3.4 16.2 1.0 CHB B:HEM201 3.4 9.6 1.0 CHC B:HEM201 3.5 16.1 1.0 CHA B:HEM201 3.5 17.1 1.0 C3C B:HEM201 4.2 15.5 1.0 C2C B:HEM201 4.2 16.7 1.0 C3A B:HEM201 4.3 15.5 1.0 C3B B:HEM201 4.3 12.3 1.0 C2A B:HEM201 4.3 14.0 1.0 C2B B:HEM201 4.3 10.3 1.0 ND1 B:HIS89 4.4 15.3 1.0 CG B:HIS89 4.4 16.1 1.0 C2D B:HEM201 4.4 20.8 1.0 C3D B:HEM201 4.4 19.1 1.0 CG2 B:VAL59 4.5 13.1 1.0 CG1 B:VAL59 5.0 11.7 1.0

J.Zhao, V.Srajer, S.Franzen. Observation of Protein Valves For the Control of the Internal Flow of Small Molecules Using Time-Resolved X-Ray Crystallography To Be Published.