Iron in PDB 1u55: Crystal Structure of An Oxygen Binding H-Nox Domain Related to Soluble Guanylate Cyclases (Oxygen Complex)

The structure of Crystal Structure of An Oxygen Binding H-Nox Domain Related to Soluble Guanylate Cyclases (Oxygen Complex), PDB code: 1u55 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)	29.97 / 1.77
Space group	C 1 2 1
Cell size a, b, c (Å), α, β, γ (°)	91.480, 126.990, 42.572, 90.00, 94.33, 90.00
R / Rfree (%)	22.7 / 25.7

The structure of Crystal Structure of An Oxygen Binding H-Nox Domain Related to Soluble Guanylate Cyclases (Oxygen Complex) 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 (Oxygen Complex) (pdb code 1u55). 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 (Oxygen Complex), PDB code: 1u55:
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 (Oxygen Complex)


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 (Oxygen Complex) within 5.0Å range: probe atom residue distance (Å) B Occ A:Fe500 b:21.1 occ:1.00 FE A:HEM500 0.0 21.1 1.0 O1 A:OXY501 1.8 21.9 1.0 ND A:HEM500 2.0 43.5 1.0 NC A:HEM500 2.0 43.5 1.0 NA A:HEM500 2.0 43.5 1.0 NB A:HEM500 2.0 43.5 1.0 NE2 A:HIS102 2.1 21.8 1.0 O2 A:OXY501 2.7 26.7 1.0 CE1 A:HIS102 3.0 21.4 1.0 C4A A:HEM500 3.0 22.3 1.0 C4D A:HEM500 3.0 20.4 1.0 C1D A:HEM500 3.0 18.4 1.0 C1A A:HEM500 3.0 20.9 1.0 C4C A:HEM500 3.0 18.6 1.0 C1C A:HEM500 3.0 20.0 1.0 C4B A:HEM500 3.0 21.0 1.0 C1B A:HEM500 3.0 22.5 1.0 CD2 A:HIS102 3.2 22.4 1.0 CHA A:HEM500 3.4 19.8 1.0 CHD A:HEM500 3.4 19.2 1.0 CHC A:HEM500 3.4 21.2 1.0 CHB A:HEM500 3.4 22.2 1.0 ND1 A:HIS102 4.1 21.6 1.0 C3A A:HEM500 4.2 20.8 1.0 C2D A:HEM500 4.2 20.1 1.0 C3D A:HEM500 4.2 20.4 1.0 C2A A:HEM500 4.2 22.0 1.0 C2C A:HEM500 4.3 19.2 1.0 C2B A:HEM500 4.3 22.5 1.0 C3B A:HEM500 4.3 22.7 1.0 C3C A:HEM500 4.3 20.6 1.0 CG A:HIS102 4.3 25.1 1.0 CZ A:PHE78 4.5 24.1 1.0 CD1 A:LEU144 4.5 21.2 1.0 CE1 A:PHE78 4.6 22.6 1.0 CE2 A:TYR140 5.0 20.0 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 (Oxygen Complex)


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 (Oxygen Complex) within 5.0Å range: probe atom residue distance (Å) B Occ B:Fe502 b:35.5 occ:1.00 FE B:HEM502 0.0 35.5 1.0 O1 B:OXY503 1.8 34.6 1.0 NA B:HEM502 2.0 43.5 1.0 NC B:HEM502 2.0 43.5 1.0 NB B:HEM502 2.0 43.5 1.0 ND B:HEM502 2.0 43.5 1.0 NE2 B:HIS102 2.0 37.6 1.0 O2 B:OXY503 2.8 37.1 1.0 CE1 B:HIS102 2.9 40.2 1.0 C4A B:HEM502 3.0 40.1 1.0 C1B B:HEM502 3.0 37.0 1.0 C4C B:HEM502 3.0 37.9 1.0 C1D B:HEM502 3.0 36.7 1.0 C1A B:HEM502 3.0 39.9 1.0 C1C B:HEM502 3.1 37.4 1.0 C4D B:HEM502 3.1 37.7 1.0 C4B B:HEM502 3.1 37.3 1.0 CD2 B:HIS102 3.1 41.1 1.0 CHB B:HEM502 3.4 37.5 1.0 CHD B:HEM502 3.4 36.3 1.0 CHC B:HEM502 3.4 37.1 1.0 CHA B:HEM502 3.5 38.3 1.0 ND1 B:HIS102 4.0 42.1 1.0 CG B:HIS102 4.2 43.3 1.0 C3A B:HEM502 4.2 40.0 1.0 C2A B:HEM502 4.3 40.8 1.0 C2C B:HEM502 4.3 37.9 1.0 C3C B:HEM502 4.3 38.3 1.0 C2B B:HEM502 4.3 37.2 1.0 C2D B:HEM502 4.3 35.8 1.0 C3D B:HEM502 4.3 36.7 1.0 C3B B:HEM502 4.3 38.0 1.0 CZ B:PHE78 4.6 32.6 1.0 CE1 B:PHE78 4.7 33.4 1.0 CD1 B:LEU144 4.8 31.2 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