Chlorine in PDB 3wnr: Multiple Binding Modes of Benzyl Isothiocyanate Inhibitor Complexed with Macrophage Migration Inhibitory Factor

Enzymatic activity of Multiple Binding Modes of Benzyl Isothiocyanate Inhibitor Complexed with Macrophage Migration Inhibitory Factor

All present enzymatic activity of Multiple Binding Modes of Benzyl Isothiocyanate Inhibitor Complexed with Macrophage Migration Inhibitory Factor:
5.3.2.1; 5.3.3.12;

Protein crystallography data

The structure of Multiple Binding Modes of Benzyl Isothiocyanate Inhibitor Complexed with Macrophage Migration Inhibitory Factor, PDB code: 3wnr was solved by E.S.Spencer, E.J.Dale, A.L.Gommans, M.T.Rutledge, A.B.Gamble, R.A.J.Smith, S.M.Wilbanks, M.B.Hampton, J.D.A.Tyndall, with X-Ray Crystallography technique. A brief refinement statistics is given in the table below:

Resolution Low / High (Å) 43.23 / 2.01
Space group P 21 21 21
Cell size a, b, c (Å), α, β, γ (°) 68.480, 68.640, 86.470, 90.00, 90.00, 90.00
R / Rfree (%) 15 / 20

Chlorine Binding Sites:

The binding sites of Chlorine atom in the Multiple Binding Modes of Benzyl Isothiocyanate Inhibitor Complexed with Macrophage Migration Inhibitory Factor (pdb code 3wnr). This binding sites where shown within 5.0 Angstroms radius around Chlorine atom.
In total only one binding site of Chlorine was determined in the Multiple Binding Modes of Benzyl Isothiocyanate Inhibitor Complexed with Macrophage Migration Inhibitory Factor, PDB code: 3wnr:

Chlorine binding site 1 out of 1 in 3wnr

Go back to Chlorine Binding Sites List in 3wnr
Chlorine binding site 1 out of 1 in the Multiple Binding Modes of Benzyl Isothiocyanate Inhibitor Complexed with Macrophage Migration Inhibitory Factor


Mono view


Stereo pair view

A full contact list of Chlorine with other atoms in the Cl binding site number 1 of Multiple Binding Modes of Benzyl Isothiocyanate Inhibitor Complexed with Macrophage Migration Inhibitory Factor within 5.0Å range:
probe atom residue distance (Å) B Occ
B:Cl203

b:32.7
occ:1.00
 NZ B:LYS33 3.2 20.6 1.0
CE B:LYS33 3.7 26.7 1.0
NZ B:LYS67 3.9 20.6 1.0
CE B:LYS67 4.1 30.1 1.0
CD B:LYS33 4.3 23.7 1.0
CG B:LYS67 4.5 22.0 1.0
O B:HOH362 4.6 31.6 1.0
O B:HOH396 4.6 45.1 1.0
O B:ILE65 4.7 17.1 1.0
CD B:LYS67 4.9 18.0 1.0

Reference:

E.S.Spencer, E.J.Dale, A.L.Gommans, M.T.Rutledge, A.B.Gamble, R.A.J.Smith, S.M.Wilbanks, M.B.Hampton, J.D.A.Tyndall. Multiple Binding Modes of Benzyl Isothiocyanate Inhibitor Complexed with Macrophage Migration Inhibitory Factor To Be Published.
Page generated: Sun Jul 21 07:38:09 2024

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