Chlorine in PDB 3e6l: Structure of Murine Inos Oxygenase Domain with Inhibitor Ar- C132283

All present enzymatic activity of Structure of Murine Inos Oxygenase Domain with Inhibitor Ar- C132283:
1.14.13.39;

The structure of Structure of Murine Inos Oxygenase Domain with Inhibitor Ar- C132283, PDB code: 3e6l was solved by E.D.Garcin, A.S.Arvai, R.J.Rosenfeld, M.D.Kroeger, B.R.Crane, G.Andersson, G.Andrews, P.J.Hamley, P.R.Mallinder, D.J.Nicholls, S.A.St-Gallay, A.C.Tinker, N.P.Gensmantel, A.Mete, D.R.Cheshire, S.Connolly, D.J.Stueh, A.Aberg, A.V.Wallace, J.A.Tainer, E.D.Getzoff, with X-Ray Crystallography technique. A brief refinement statistics is given in the table below:

Resolution Low / High (Å)	29.98 / 2.30
Space group	P 61 2 2
Cell size a, b, c (Å), α, β, γ (°)	213.898, 213.898, 116.148, 90.00, 90.00, 120.00
R / Rfree (%)	21.9 / 24.4

The structure of Structure of Murine Inos Oxygenase Domain with Inhibitor Ar- C132283 also contains other interesting chemical elements:

Iron

(Fe)

2 atoms

The binding sites of Chlorine atom in the Structure of Murine Inos Oxygenase Domain with Inhibitor Ar- C132283 (pdb code 3e6l). This binding sites where shown within 5.0 Angstroms radius around Chlorine atom.
In total 2 binding sites of Chlorine where determined in the Structure of Murine Inos Oxygenase Domain with Inhibitor Ar- C132283, PDB code: 3e6l:
Jump to Chlorine binding site number: 1; 2;

Chlorine binding site 1 out of 2 in the Structure of Murine Inos Oxygenase Domain with Inhibitor Ar- C132283


Mono view


Stereo pair view

A full contact list of Chlorine with other atoms in the Cl binding site number 1 of Structure of Murine Inos Oxygenase Domain with Inhibitor Ar- C132283 within 5.0Å range: probe atom residue distance (Å) B Occ A:Cl906 b:35.4 occ:1.00 CL A:A11906 0.0 35.4 1.0 C2 A:A11906 1.7 30.5 1.0 C3 A:A11906 2.7 28.7 1.0 C7 A:A11906 2.7 28.6 1.0 N A:GLY365 3.5 30.8 1.0 NC A:HEM901 3.6 27.4 1.0 C1C A:HEM901 3.6 27.9 1.0 CE1 A:PHE363 3.7 33.7 1.0 CD1 A:PHE363 3.7 35.0 1.0 CA A:ASN364 3.8 31.1 1.0 C A:ASN364 3.9 31.3 1.0 C4C A:HEM901 3.9 27.4 1.0 O A:PRO344 4.0 33.2 1.0 C6 A:A11906 4.0 27.9 1.0 C4 A:A11906 4.0 28.3 1.0 CHC A:HEM901 4.1 27.0 1.0 C2C A:HEM901 4.1 27.8 1.0 FE A:HEM901 4.2 28.4 1.0 CG2 A:VAL346 4.2 31.9 1.0 O A:PHE363 4.3 30.2 1.0 C3C A:HEM901 4.3 27.9 1.0 CA A:GLY365 4.4 30.1 1.0 NB A:HEM901 4.4 27.3 1.0 N A:ASN364 4.4 30.1 1.0 ND A:HEM901 4.4 28.9 1.0 C4B A:HEM901 4.5 26.8 1.0 CHD A:HEM901 4.5 26.5 1.0 N5 A:A11906 4.5 27.8 1.0 C A:PHE363 4.6 31.0 1.0 C1D A:HEM901 4.7 28.1 1.0 N A:VAL346 4.7 33.2 1.0 O A:ASN364 4.8 31.9 1.0 C A:PRO344 4.9 32.7 1.0 CMC A:HEM901 4.9 27.5 1.0 CB A:VAL346 4.9 33.3 1.0 CB A:ASN364 4.9 30.1 1.0 NA A:HEM901 5.0 27.0 1.0 CZ A:PHE363 5.0 33.8 1.0

Chlorine binding site 2 out of 2 in the Structure of Murine Inos Oxygenase Domain with Inhibitor Ar- C132283


Mono view


Stereo pair view

A full contact list of Chlorine with other atoms in the Cl binding site number 2 of Structure of Murine Inos Oxygenase Domain with Inhibitor Ar- C132283 within 5.0Å range: probe atom residue distance (Å) B Occ B:Cl1906 b:37.5 occ:1.00 CL B:A111906 0.0 37.5 1.0 C2 B:A111906 1.7 31.4 1.0 C7 B:A111906 2.7 30.4 1.0 C3 B:A111906 2.7 29.9 1.0 NC B:HEM1901 3.6 26.7 1.0 N B:GLY365 3.6 30.9 1.0 CD1 B:PHE363 3.6 30.5 1.0 C1C B:HEM1901 3.6 27.3 1.0 CE1 B:PHE363 3.6 29.0 1.0 CA B:ASN364 3.7 29.8 1.0 C B:ASN364 3.9 30.4 1.0 C4C B:HEM1901 3.9 27.6 1.0 O B:PRO344 4.0 32.8 1.0 CG2 B:VAL346 4.0 29.2 1.0 C6 B:A111906 4.0 29.1 1.0 C4 B:A111906 4.0 29.2 1.0 C2C B:HEM1901 4.0 27.7 1.0 CHC B:HEM1901 4.1 26.4 1.0 FE B:HEM1901 4.2 27.9 1.0 C3C B:HEM1901 4.2 28.0 1.0 O B:PHE363 4.3 28.7 1.0 N B:ASN364 4.3 29.4 1.0 CA B:GLY365 4.4 31.6 1.0 ND B:HEM1901 4.5 28.2 1.0 CHD B:HEM1901 4.5 28.3 1.0 NB B:HEM1901 4.5 26.1 1.0 N5 B:A111906 4.5 29.5 1.0 C B:PHE363 4.5 30.2 1.0 C4B B:HEM1901 4.5 26.3 1.0 N B:VAL346 4.7 30.6 1.0 O B:ASN364 4.7 30.0 1.0 C1D B:HEM1901 4.7 28.2 1.0 CMC B:HEM1901 4.8 27.4 1.0 C B:PRO344 4.9 32.3 1.0 CB B:VAL346 4.9 31.0 1.0 CB B:ASN364 4.9 29.6 1.0 CG B:PHE363 4.9 30.4 1.0 NA B:HEM1901 5.0 25.1 1.0 CZ B:PHE363 5.0 29.7 1.0

E.D.Garcin, A.S.Arvai, R.J.Rosenfeld, M.D.Kroeger, B.R.Crane, G.Andersson, G.Andrews, P.J.Hamley, P.R.Mallinder, D.J.Nicholls, S.A.St-Gallay, A.C.Tinker, N.P.Gensmantel, A.Mete, D.R.Cheshire, S.Connolly, D.J.Stuehr, A.Aberg, A.V.Wallace, J.A.Tainer, E.D.Getzoff. Anchored Plasticity Opens Doors For Selective Inhibitor Design in Nitric Oxide Synthase. Nat.Chem.Biol. V. 4 700 2008.
ISSN: ISSN 1552-4450
PubMed: 18849972
DOI: 10.1038/NCHEMBIO.115