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Zinc in PDB 1df1: Murine Inosoxy Dimer with Isothiourea Bound in the Active Site

Enzymatic activity of Murine Inosoxy Dimer with Isothiourea Bound in the Active Site

All present enzymatic activity of Murine Inosoxy Dimer with Isothiourea Bound in the Active Site:
1.14.13.39;

Protein crystallography data

The structure of Murine Inosoxy Dimer with Isothiourea Bound in the Active Site, PDB code: 1df1 was solved by B.R.Crane, R.J.Rosenfeld, A.S.Arvai, D.K.Ghosh, S.Ghosh, J.A.Tainer, D.J.Stuehr, E.D.Getzoff, with X-Ray Crystallography technique. A brief refinement statistics is given in the table below:

Resolution Low / High (Å) 20.00 / 2.35
Space group P 61 2 2
Cell size a, b, c (Å), α, β, γ (°) 214.464, 214.464, 112.752, 90.00, 90.00, 120.00
R / Rfree (%) 22.3 / 29.8

Other elements in 1df1:

The structure of Murine Inosoxy Dimer with Isothiourea Bound in the Active Site also contains other interesting chemical elements:

Iron (Fe) 2 atoms

Zinc Binding Sites:

The binding sites of Zinc atom in the Murine Inosoxy Dimer with Isothiourea Bound in the Active Site (pdb code 1df1). This binding sites where shown within 5.0 Angstroms radius around Zinc atom.
In total 2 binding sites of Zinc where determined in the Murine Inosoxy Dimer with Isothiourea Bound in the Active Site, PDB code: 1df1:
Jump to Zinc binding site number: 1; 2;

Zinc binding site 1 out of 2 in 1df1

Go back to Zinc Binding Sites List in 1df1
Zinc binding site 1 out of 2 in the Murine Inosoxy Dimer with Isothiourea Bound in the Active Site


Mono view


Stereo pair view

A full contact list of Zinc with other atoms in the Zn binding site number 1 of Murine Inosoxy Dimer with Isothiourea Bound in the Active Site within 5.0Å range:
probe atom residue distance (Å) B Occ
A:Zn900

b:79.0
occ:0.50
SG A:CYS104 2.2 37.5 0.5
SG A:CYS109 2.3 19.8 0.5
CB A:CYS104 3.3 39.3 0.5
CB A:CYS109 3.4 11.0 0.5
CA A:CYS109 3.8 17.8 0.5
N A:LEU110 4.3 38.1 1.0
N A:GLY111 4.5 50.1 1.0
C A:CYS109 4.5 23.5 0.5
CA A:CYS104 4.7 40.2 0.5
CA A:GLY111 4.9 48.6 1.0
N A:CYS104 5.0 36.6 0.5

Zinc binding site 2 out of 2 in 1df1

Go back to Zinc Binding Sites List in 1df1
Zinc binding site 2 out of 2 in the Murine Inosoxy Dimer with Isothiourea Bound in the Active Site


Mono view


Stereo pair view

A full contact list of Zinc with other atoms in the Zn binding site number 2 of Murine Inosoxy Dimer with Isothiourea Bound in the Active Site within 5.0Å range:
probe atom residue distance (Å) B Occ
B:Zn900

b:52.6
occ:0.50
SG B:CYS109 2.2 61.4 1.0
SG B:CYS104 2.2 25.7 0.5
CB B:CYS109 3.6 58.4 1.0
CB B:CYS104 3.8 30.6 0.5
CA B:CYS109 3.9 55.9 1.0
N B:GLY111 4.0 53.8 1.0
N B:LEU110 4.3 61.5 1.0
CA B:GLY111 4.4 51.5 1.0
C B:CYS109 4.5 57.4 1.0

Reference:

B.R.Crane, R.J.Rosenfeld, A.S.Arvai, D.K.Ghosh, S.Ghosh, J.A.Tainer, D.J.Stuehr, E.D.Getzoff. N-Terminal Domain Swapping and Metal Ion Binding in Nitric Oxide Synthase Dimerization. Embo J. V. 18 6271 1999.
ISSN: ISSN 0261-4189
PubMed: 10562539
DOI: 10.1093/EMBOJ/18.22.6271
Page generated: Mon Jan 25 16:08:43 2021

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