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Chlorine in PDB 2xuc: Natural Product-Guided Discovery of A Fungal Chitinase Inhibitor

Enzymatic activity of Natural Product-Guided Discovery of A Fungal Chitinase Inhibitor

All present enzymatic activity of Natural Product-Guided Discovery of A Fungal Chitinase Inhibitor:
3.2.1.14;

Protein crystallography data

The structure of Natural Product-Guided Discovery of A Fungal Chitinase Inhibitor, PDB code: 2xuc was solved by C.L.Rush, A.W.Schuttelkopf, R.Hurtado-Guerrero, D.E.Blair, A.F.M.Ibrahim, S.Desvergnes, I.M.Eggleston, D.M.F.Van Aalten, with X-Ray Crystallography technique. A brief refinement statistics is given in the table below:

Resolution Low / High (Å) 86.64 / 2.30
Space group P 32
Cell size a, b, c (Å), α, β, γ (°) 100.039, 100.039, 111.156, 90.00, 90.00, 120.00
R / Rfree (%) 23.3 / 27.7

Chlorine Binding Sites:

The binding sites of Chlorine atom in the Natural Product-Guided Discovery of A Fungal Chitinase Inhibitor (pdb code 2xuc). This binding sites where shown within 5.0 Angstroms radius around Chlorine atom.
In total 2 binding sites of Chlorine where determined in the Natural Product-Guided Discovery of A Fungal Chitinase Inhibitor, PDB code: 2xuc:
Jump to Chlorine binding site number: 1; 2;

Chlorine binding site 1 out of 2 in 2xuc

Go back to Chlorine Binding Sites List in 2xuc
Chlorine binding site 1 out of 2 in the Natural Product-Guided Discovery of A Fungal Chitinase Inhibitor


Mono view


Stereo pair view

A full contact list of Chlorine with other atoms in the Cl binding site number 1 of Natural Product-Guided Discovery of A Fungal Chitinase Inhibitor within 5.0Å range:
probe atom residue distance (Å) B Occ
A:Cl1341

b:30.0
occ:1.00
CG A:ARG43 3.3 16.6 1.0
N A:ARG43 3.4 17.4 1.0
CB A:ARG43 3.8 15.4 1.0
CD A:ARG43 3.9 14.8 1.0
CD2 A:LEU42 4.0 26.8 1.0
CA A:LEU42 4.0 19.0 1.0
C A:LEU42 4.2 18.4 1.0
CA A:ARG43 4.2 16.4 1.0
CB A:LEU42 4.3 19.3 1.0
CG A:LEU42 4.8 23.1 1.0

Chlorine binding site 2 out of 2 in 2xuc

Go back to Chlorine Binding Sites List in 2xuc
Chlorine binding site 2 out of 2 in the Natural Product-Guided Discovery of A Fungal Chitinase Inhibitor


Mono view


Stereo pair view

A full contact list of Chlorine with other atoms in the Cl binding site number 2 of Natural Product-Guided Discovery of A Fungal Chitinase Inhibitor within 5.0Å range:
probe atom residue distance (Å) B Occ
B:Cl1342

b:30.0
occ:1.00
OG1 B:THR305 3.2 24.6 1.0
CB B:ASP304 3.4 27.8 1.0
N B:THR305 3.8 24.1 1.0
OD2 B:ASP304 3.9 34.4 1.0
NZ B:LYS260 3.9 18.3 0.0
N B:ASP304 3.9 26.9 1.0
CA B:ASP304 4.0 27.4 1.0
CG B:ASP304 4.1 30.6 1.0
C B:ASP304 4.1 26.6 1.0
CE B:LYS260 4.2 18.5 0.0
CB B:THR305 4.3 22.9 1.0
CA B:TYR302 4.5 25.0 1.0
C B:TYR302 4.5 25.8 1.0
CB B:TYR302 4.6 24.3 1.0
N B:PRO303 4.7 26.4 1.0
CD B:PRO303 4.7 26.6 1.0
CA B:THR305 4.7 22.9 1.0
O B:TYR302 4.8 26.4 1.0
CD1 B:TYR302 4.9 23.4 1.0
O B:ASP304 4.9 27.1 1.0

Reference:

C.L.Rush, A.W.Schuttelkopf, R.Hurtado-Guerrero, D.E.Blair, A.F.M.Ibrahim, S.Desvergnes, I.M.Eggleston, D.M.F.Van Aalten. Natural Product-Guided Discovery of A Fungal Chitinase Inhibitor. Chem.Biol. V. 17 1275 2010.
ISSN: ISSN 1074-5521
PubMed: 21168763
DOI: 10.1016/J.CHEMBIOL.2010.07.018
Page generated: Fri Jul 11 02:09:38 2025

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