Chlorine in PDB 6jav: Crystal Structure of Ostrinia Furnacalis Group II Chitinase Catalytic Domain 1 in Complex with A Piperidine-Thienopyridine Derivative

Enzymatic activity of Crystal Structure of Ostrinia Furnacalis Group II Chitinase Catalytic Domain 1 in Complex with A Piperidine-Thienopyridine Derivative

All present enzymatic activity of Crystal Structure of Ostrinia Furnacalis Group II Chitinase Catalytic Domain 1 in Complex with A Piperidine-Thienopyridine Derivative:
3.2.1.14;

Protein crystallography data

The structure of Crystal Structure of Ostrinia Furnacalis Group II Chitinase Catalytic Domain 1 in Complex with A Piperidine-Thienopyridine Derivative, PDB code: 6jav was solved by W.Chen, Y.Zhou, Q.Yang, with X-Ray Crystallography technique. A brief refinement statistics is given in the table below:

Resolution Low / High (Å) 27.36 / 1.44
Space group P 41 21 2
Cell size a, b, c (Å), α, β, γ (°) 98.643, 98.643, 94.884, 90.00, 90.00, 90.00
R / Rfree (%) 16.1 / 17.8

Chlorine Binding Sites:

The binding sites of Chlorine atom in the Crystal Structure of Ostrinia Furnacalis Group II Chitinase Catalytic Domain 1 in Complex with A Piperidine-Thienopyridine Derivative (pdb code 6jav). 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 Crystal Structure of Ostrinia Furnacalis Group II Chitinase Catalytic Domain 1 in Complex with A Piperidine-Thienopyridine Derivative, PDB code: 6jav:

Chlorine binding site 1 out of 1 in 6jav

Go back to Chlorine Binding Sites List in 6jav
Chlorine binding site 1 out of 1 in the Crystal Structure of Ostrinia Furnacalis Group II Chitinase Catalytic Domain 1 in Complex with A Piperidine-Thienopyridine Derivative


Mono view


Stereo pair view

A full contact list of Chlorine with other atoms in the Cl binding site number 1 of Crystal Structure of Ostrinia Furnacalis Group II Chitinase Catalytic Domain 1 in Complex with A Piperidine-Thienopyridine Derivative within 5.0Å range:
probe atom residue distance (Å) B Occ
A:Cl2101

b:51.7
occ:0.84
 CL A:BC02101 0.0 51.7 0.8
C14 A:BC02101 1.8 32.2 0.8
C13 A:BC02101 2.8 27.1 0.9
C15 A:BC02101 2.8 30.4 0.9
NE1 A:TRP1621 3.2 15.7 1.0
NH2 A:ARG1625 3.3 13.8 1.0
O A:HOH2408 3.6 23.7 1.0
CD1 A:TRP1621 3.8 16.4 1.0
C12 A:BC02101 4.1 50.4 0.8
C16 A:BC02101 4.1 31.7 0.9
O A:THR1894 4.2 16.3 1.0
CE2 A:TRP1621 4.4 12.7 1.0
O A:HOH2273 4.4 14.9 1.0
CZ A:ARG1625 4.5 12.0 1.0
C11 A:BC02101 4.6 45.6 0.9
CE2 A:PHE1899 4.7 17.6 1.0
NE A:ARG1625 4.9 13.5 1.0
CB A:THR1894 4.9 13.7 1.0
CZ2 A:TRP1621 4.9 13.0 1.0
CB A:ALA1896 5.0 16.7 1.0

Reference:

W.Chen, Y.Zhou, Q.Yang. Structural Dissection Reveals A General Mechanistic Principle For Group II Chitinase (Chtii) Inhibition. J.Biol.Chem. V. 294 9358 2019.
ISSN: ESSN 1083-351X
PubMed: 31053640
DOI: 10.1074/JBC.RA119.007812
Page generated: Sat Dec 12 13:11:17 2020

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