Iron in PDB 5jrv: Crystal Structure of Fe(II) No-Bound H-Nox Protein From C. Subterraneus

The structure of Crystal Structure of Fe(II) No-Bound H-Nox Protein From C. Subterraneus, PDB code: 5jrv was solved by J.Bruegger, C.Hespen, C.M.Phillips-Piro, M.A.Marletta, with X-Ray Crystallography technique. A brief refinement statistics is given in the table below:

Resolution Low / High (Å)	49.98 / 1.95
Space group	P 21 21 2
Cell size a, b, c (Å), α, β, γ (°)	80.385, 127.626, 42.937, 90.00, 90.00, 90.00
R / Rfree (%)	20.2 / 23.1

The structure of Crystal Structure of Fe(II) No-Bound H-Nox Protein From C. Subterraneus also contains other interesting chemical elements:

Iodine

(I)

1 atom

The binding sites of Iron atom in the Crystal Structure of Fe(II) No-Bound H-Nox Protein From C. Subterraneus (pdb code 5jrv). 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 Fe(II) No-Bound H-Nox Protein From C. Subterraneus, PDB code: 5jrv:
Jump to Iron binding site number: 1; 2;

Iron binding site 1 out of 2 in the Crystal Structure of Fe(II) No-Bound H-Nox Protein From C. Subterraneus


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 Fe(II) No-Bound H-Nox Protein From C. Subterraneus within 5.0Å range: probe atom residue distance (Å) B Occ A:Fe201 b:28.2 occ:1.00 FE A:HEM201 0.0 28.2 1.0 N A:NO202 1.8 26.4 1.0 NC A:HEM201 2.0 23.4 1.0 NA A:HEM201 2.0 28.3 1.0 NE2 A:HIS102 2.0 29.0 1.0 NB A:HEM201 2.0 29.0 1.0 ND A:HEM201 2.0 26.3 1.0 O A:NO202 2.8 28.9 1.0 CE1 A:HIS102 2.9 24.9 1.0 C1D A:HEM201 3.0 25.8 1.0 C4A A:HEM201 3.0 31.9 1.0 C1B A:HEM201 3.0 27.3 1.0 C4C A:HEM201 3.0 24.9 1.0 C4D A:HEM201 3.0 24.2 1.0 C1C A:HEM201 3.0 25.6 1.0 C1A A:HEM201 3.0 27.5 1.0 C4B A:HEM201 3.0 25.7 1.0 CD2 A:HIS102 3.1 25.7 1.0 CHD A:HEM201 3.3 25.1 1.0 CHB A:HEM201 3.3 31.2 1.0 CHC A:HEM201 3.4 26.6 1.0 CHA A:HEM201 3.4 24.7 1.0 ND1 A:HIS102 4.0 27.4 1.0 CG A:HIS102 4.2 28.1 1.0 C2D A:HEM201 4.2 23.9 1.0 C3A A:HEM201 4.2 31.6 1.0 C2B A:HEM201 4.2 30.4 1.0 C3D A:HEM201 4.2 26.6 1.0 C2A A:HEM201 4.2 29.5 1.0 C3C A:HEM201 4.2 22.4 1.0 C3B A:HEM201 4.2 30.0 1.0 C2C A:HEM201 4.2 25.9 1.0 CE2 A:PHE78 4.8 25.5 1.0 CZ A:PHE78 4.8 27.4 1.0 CD1 A:LEU144 4.8 21.1 1.0

Iron binding site 2 out of 2 in the Crystal Structure of Fe(II) No-Bound H-Nox Protein From C. Subterraneus


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 Fe(II) No-Bound H-Nox Protein From C. Subterraneus within 5.0Å range: probe atom residue distance (Å) B Occ B:Fe201 b:25.2 occ:1.00 FE B:HEM201 0.0 25.2 1.0 N B:NO202 1.8 23.6 1.0 NC B:HEM201 2.0 24.2 1.0 NE2 B:HIS102 2.0 25.9 1.0 NA B:HEM201 2.0 27.6 1.0 NB B:HEM201 2.0 25.5 1.0 ND B:HEM201 2.0 24.0 1.0 CE1 B:HIS102 2.9 23.7 1.0 O B:NO202 2.9 32.0 1.0 C4C B:HEM201 3.0 25.0 1.0 C1D B:HEM201 3.0 26.3 1.0 C4A B:HEM201 3.0 26.2 1.0 C1B B:HEM201 3.0 26.2 1.0 C1A B:HEM201 3.0 25.5 1.0 C4B B:HEM201 3.0 29.0 1.0 C1C B:HEM201 3.0 27.7 1.0 C4D B:HEM201 3.1 24.9 1.0 CD2 B:HIS102 3.1 24.1 1.0 CHD B:HEM201 3.3 22.8 1.0 CHB B:HEM201 3.4 26.0 1.0 CHC B:HEM201 3.4 28.1 1.0 CHA B:HEM201 3.4 27.6 1.0 ND1 B:HIS102 4.0 25.4 1.0 CG B:HIS102 4.2 25.0 1.0 C3A B:HEM201 4.2 26.6 1.0 C2D B:HEM201 4.2 23.7 1.0 C3C B:HEM201 4.2 21.6 1.0 C2A B:HEM201 4.2 24.4 1.0 C2B B:HEM201 4.2 27.4 1.0 C2C B:HEM201 4.2 25.6 1.0 C3B B:HEM201 4.3 28.7 1.0 C3D B:HEM201 4.3 26.5 1.0 CD1 B:LEU144 4.5 24.8 1.0 CE2 B:PHE78 4.8 33.8 1.0

C.W.Hespen, J.J.Bruegger, C.M.Phillips-Piro, M.A.Marletta. Structural and Functional Evidence Indicates Selective Oxygen Signaling in Caldanaerobacter Subterraneus H-Nox. Acs Chem.Biol. V. 11 2337 2016.
ISSN: ESSN 1554-8937
PubMed: 27328180
DOI: 10.1021/ACSCHEMBIO.6B00431