Iron in PDB 1u56: Crystal Structure of An Oxygen Binding H-Nox Domain Related to Soluble Guanylate Cyclases (Water-Ligated, Ferric Form)

The structure of Crystal Structure of An Oxygen Binding H-Nox Domain Related to Soluble Guanylate Cyclases (Water-Ligated, Ferric Form), PDB code: 1u56 was solved by P.Pellicena, D.S.Karow, E.M.Boon, M.A.Marletta, J.Kuriyan, with X-Ray Crystallography technique. A brief refinement statistics is given in the table below:

Resolution Low / High (Å)	42.40 / 1.90
Space group	C 1 2 1
Cell size a, b, c (Å), α, β, γ (°)	91.610, 127.180, 42.590, 90.00, 95.48, 90.00
R / Rfree (%)	22.5 / 25.5

The structure of Crystal Structure of An Oxygen Binding H-Nox Domain Related to Soluble Guanylate Cyclases (Water-Ligated, Ferric Form) also contains other interesting chemical elements:

Chlorine

(Cl)

1 atom

The binding sites of Iron atom in the Crystal Structure of An Oxygen Binding H-Nox Domain Related to Soluble Guanylate Cyclases (Water-Ligated, Ferric Form) (pdb code 1u56). 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 An Oxygen Binding H-Nox Domain Related to Soluble Guanylate Cyclases (Water-Ligated, Ferric Form), PDB code: 1u56:
Jump to Iron binding site number: 1; 2;

Iron binding site 1 out of 2 in the Crystal Structure of An Oxygen Binding H-Nox Domain Related to Soluble Guanylate Cyclases (Water-Ligated, Ferric Form)


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 An Oxygen Binding H-Nox Domain Related to Soluble Guanylate Cyclases (Water-Ligated, Ferric Form) within 5.0Å range: probe atom residue distance (Å) B Occ A:Fe500 b:22.0 occ:1.00 FE A:HEM500 0.0 22.0 1.0 NA A:HEM500 1.9 21.5 1.0 NC A:HEM500 2.0 22.0 1.0 ND A:HEM500 2.0 22.7 1.0 NB A:HEM500 2.0 22.1 1.0 O A:HOH501 2.1 21.3 1.0 NE2 A:HIS102 2.1 22.5 1.0 C4A A:HEM500 3.0 22.3 1.0 C1A A:HEM500 3.0 23.3 1.0 C1C A:HEM500 3.0 22.9 1.0 C4B A:HEM500 3.0 21.2 1.0 C1D A:HEM500 3.0 21.1 1.0 C4D A:HEM500 3.0 21.7 1.0 CE1 A:HIS102 3.0 27.8 1.0 C4C A:HEM500 3.0 22.0 1.0 C1B A:HEM500 3.0 20.8 1.0 CD2 A:HIS102 3.2 24.4 1.0 CHA A:HEM500 3.4 21.4 1.0 CHB A:HEM500 3.4 21.7 1.0 CHC A:HEM500 3.4 23.4 1.0 CHD A:HEM500 3.4 21.0 1.0 C3A A:HEM500 4.2 24.7 1.0 ND1 A:HIS102 4.2 25.1 1.0 C2A A:HEM500 4.2 23.2 1.0 C2D A:HEM500 4.2 21.6 1.0 C3B A:HEM500 4.3 23.3 1.0 C3D A:HEM500 4.3 22.5 1.0 C2C A:HEM500 4.3 22.1 1.0 C2B A:HEM500 4.3 23.7 1.0 CG A:HIS102 4.3 26.7 1.0 C3C A:HEM500 4.3 25.2 1.0 CZ A:PHE78 4.6 24.4 1.0 CD1 A:LEU144 4.7 24.2 1.0 CE1 A:PHE78 4.8 26.3 1.0 OH A:TYR140 4.8 23.4 1.0 CE2 A:TYR140 4.9 23.5 1.0

Iron binding site 2 out of 2 in the Crystal Structure of An Oxygen Binding H-Nox Domain Related to Soluble Guanylate Cyclases (Water-Ligated, Ferric Form)


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 An Oxygen Binding H-Nox Domain Related to Soluble Guanylate Cyclases (Water-Ligated, Ferric Form) within 5.0Å range: probe atom residue distance (Å) B Occ B:Fe501 b:36.3 occ:1.00 FE B:HEM501 0.0 36.3 1.0 NA B:HEM501 1.9 39.2 1.0 NC B:HEM501 2.0 36.8 1.0 NB B:HEM501 2.0 38.4 1.0 ND B:HEM501 2.0 38.4 1.0 O B:HOH502 2.1 31.1 1.0 NE2 B:HIS102 2.1 38.9 1.0 C4A B:HEM501 3.0 40.7 1.0 CE1 B:HIS102 3.0 42.6 1.0 C4C B:HEM501 3.0 36.3 1.0 C1A B:HEM501 3.0 40.4 1.0 C1B B:HEM501 3.0 37.8 1.0 C1D B:HEM501 3.1 36.4 1.0 C1C B:HEM501 3.1 36.4 1.0 C4B B:HEM501 3.1 37.0 1.0 C4D B:HEM501 3.1 38.5 1.0 CD2 B:HIS102 3.2 42.4 1.0 CHD B:HEM501 3.4 36.1 1.0 CHB B:HEM501 3.4 38.5 1.0 CHC B:HEM501 3.4 38.6 1.0 CHA B:HEM501 3.4 40.0 1.0 ND1 B:HIS102 4.2 44.5 1.0 C3A B:HEM501 4.2 41.4 1.0 C2A B:HEM501 4.3 41.2 1.0 C3C B:HEM501 4.3 36.5 1.0 C2C B:HEM501 4.3 36.4 1.0 C2B B:HEM501 4.3 39.0 1.0 C2D B:HEM501 4.3 38.2 1.0 CG B:HIS102 4.3 44.7 1.0 C3D B:HEM501 4.3 37.7 1.0 C3B B:HEM501 4.3 39.7 1.0 CZ B:PHE78 4.9 35.8 1.0 CD1 B:LEU144 4.9 31.5 1.0 CE1 B:PHE78 4.9 35.1 1.0

P.Pellicena, D.S.Karow, E.M.Boon, M.A.Marletta, J.Kuriyan. Crystal Structure of An Oxygen-Binding Heme Domain Related to Soluble Guanylate Cyclases. Proc.Natl.Acad.Sci.Usa V. 101 12854 2004.
ISSN: ISSN 0027-8424
PubMed: 15326296
DOI: 10.1073/PNAS.0405188101