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Iron in PDB 1u4h: Crystal Structure of An Oxygen Binding H-Nox Domain Related to Soluble Guanylate Cyclases (Oxygen Complex)

Protein crystallography data

The structure of Crystal Structure of An Oxygen Binding H-Nox Domain Related to Soluble Guanylate Cyclases (Oxygen Complex), PDB code: 1u4h 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) 40.87 / 2.07
Space group P 21 21 2
Cell size a, b, c (Å), α, β, γ (°) 80.119, 128.951, 43.093, 90.00, 90.00, 90.00
R / Rfree (%) 21.6 / 25.5

Iron Binding Sites:

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 1u4h). 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: 1u4h:
Jump to Iron binding site number: 1; 2;

Iron binding site 1 out of 2 in 1u4h

Go back to Iron Binding Sites List in 1u4h
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:27.9
occ:1.00
FE A:HEM500 0.0 27.9 1.0
O1 A:OXY501 1.9 26.9 1.0
NA A:HEM500 2.0 27.0 1.0
NB A:HEM500 2.0 29.4 1.0
NC A:HEM500 2.0 27.4 1.0
ND A:HEM500 2.0 25.5 1.0
NE2 A:HIS102 2.1 28.6 1.0
O2 A:OXY501 2.8 39.3 1.0
C4A A:HEM500 3.0 27.4 1.0
C1B A:HEM500 3.0 28.4 1.0
C4B A:HEM500 3.0 29.1 1.0
C4C A:HEM500 3.0 24.3 1.0
C1D A:HEM500 3.0 21.8 1.0
C1C A:HEM500 3.0 27.6 1.0
C1A A:HEM500 3.0 26.7 1.0
CE1 A:HIS102 3.0 31.5 1.0
C4D A:HEM500 3.1 24.1 1.0
CD2 A:HIS102 3.2 29.9 1.0
CHB A:HEM500 3.4 28.8 1.0
CHC A:HEM500 3.4 28.5 1.0
CHD A:HEM500 3.4 22.4 1.0
CHA A:HEM500 3.4 24.8 1.0
ND1 A:HIS102 4.2 32.2 1.0
C3A A:HEM500 4.2 27.6 1.0
C2D A:HEM500 4.3 23.4 1.0
C2A A:HEM500 4.3 25.9 1.0
C3C A:HEM500 4.3 24.7 1.0
C2B A:HEM500 4.3 29.6 1.0
C3D A:HEM500 4.3 24.1 1.0
C3B A:HEM500 4.3 31.3 1.0
CG A:HIS102 4.3 30.2 1.0
C2C A:HEM500 4.3 24.3 1.0
CD1 A:LEU144 4.6 19.3 1.0
CE1 A:PHE78 4.6 38.9 1.0
CZ A:PHE78 4.7 41.2 1.0

Iron binding site 2 out of 2 in 1u4h

Go back to Iron Binding Sites List in 1u4h
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:27.8
occ:1.00
FE B:HEM502 0.0 27.8 1.0
O1 B:OXY503 1.8 26.3 1.0
NC B:HEM502 2.0 25.1 1.0
ND B:HEM502 2.0 26.6 1.0
NB B:HEM502 2.0 27.8 1.0
NA B:HEM502 2.0 26.4 1.0
NE2 B:HIS102 2.1 27.3 1.0
O2 B:OXY503 2.7 35.9 1.0
CE1 B:HIS102 2.9 28.5 1.0
C1C B:HEM502 3.0 25.3 1.0
C4D B:HEM502 3.0 25.7 1.0
C4C B:HEM502 3.0 24.8 1.0
C4B B:HEM502 3.0 27.5 1.0
C1D B:HEM502 3.0 24.6 1.0
C4A B:HEM502 3.1 25.1 1.0
C1B B:HEM502 3.1 27.9 1.0
C1A B:HEM502 3.1 25.8 1.0
CD2 B:HIS102 3.2 29.2 1.0
CHC B:HEM502 3.4 26.7 1.0
CHA B:HEM502 3.4 26.2 1.0
CHD B:HEM502 3.4 24.4 1.0
CHB B:HEM502 3.4 25.8 1.0
ND1 B:HIS102 4.1 28.7 1.0
CG B:HIS102 4.2 29.7 1.0
C3D B:HEM502 4.3 25.6 1.0
C2C B:HEM502 4.3 25.8 1.0
C2D B:HEM502 4.3 24.8 1.0
C3C B:HEM502 4.3 26.8 1.0
C3A B:HEM502 4.3 25.5 1.0
C3B B:HEM502 4.3 30.0 1.0
C2B B:HEM502 4.3 28.7 1.0
C2A B:HEM502 4.3 25.8 1.0
CZ B:PHE78 4.6 28.4 1.0
CE1 B:PHE78 4.7 26.5 1.0
CD1 B:LEU144 4.7 20.2 1.0

Reference:

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
Page generated: Sat Aug 3 15:22:55 2024

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