Chlorine in PDB 6ic6: Human Cathepsin-C in Complex with Cyclopropyl Peptidyl Nitrile Inhibitor 1

Enzymatic activity of Human Cathepsin-C in Complex with Cyclopropyl Peptidyl Nitrile Inhibitor 1

All present enzymatic activity of Human Cathepsin-C in Complex with Cyclopropyl Peptidyl Nitrile Inhibitor 1:
3.4.14.1;

Protein crystallography data

The structure of Human Cathepsin-C in Complex with Cyclopropyl Peptidyl Nitrile Inhibitor 1, PDB code: 6ic6 was solved by M.Hakansson, D.T.Logan, B.Korkmaz, A.Lesner, M.Wysocka, A.Gieldon, F.Gauthier, D.Jenne, C.Lauritzen, J.Pedersen, with X-Ray Crystallography technique. A brief refinement statistics is given in the table below:

Resolution Low / High (Å) 28.03 / 1.90
Space group I 2 2 2
Cell size a, b, c (Å), α, β, γ (°) 86.690, 87.770, 115.030, 90.00, 90.00, 90.00
R / Rfree (%) 14.7 / 18.6

Other elements in 6ic6:

The structure of Human Cathepsin-C in Complex with Cyclopropyl Peptidyl Nitrile Inhibitor 1 also contains other interesting chemical elements:

Fluorine (F) 3 atoms

Chlorine Binding Sites:

The binding sites of Chlorine atom in the Human Cathepsin-C in Complex with Cyclopropyl Peptidyl Nitrile Inhibitor 1 (pdb code 6ic6). 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 Human Cathepsin-C in Complex with Cyclopropyl Peptidyl Nitrile Inhibitor 1, PDB code: 6ic6:

Chlorine binding site 1 out of 1 in 6ic6

Go back to Chlorine Binding Sites List in 6ic6
Chlorine binding site 1 out of 1 in the Human Cathepsin-C in Complex with Cyclopropyl Peptidyl Nitrile Inhibitor 1


Mono view


Stereo pair view

A full contact list of Chlorine with other atoms in the Cl binding site number 1 of Human Cathepsin-C in Complex with Cyclopropyl Peptidyl Nitrile Inhibitor 1 within 5.0Å range:
probe atom residue distance (Å) B Occ
B:Cl402

b:20.4
occ:1.00
 OH B:TYR323 3.2 20.5 1.0
N B:TYR280 3.2 18.8 1.0
O C:HOH531 3.3 22.5 1.0
CB B:TYR280 3.5 18.6 1.0
CE1 B:TYR323 3.6 18.4 1.0
CB B:PHE278 3.7 19.4 1.0
N B:PRO279 3.7 19.4 1.0
CD B:PRO279 3.7 19.2 1.0
CG2 C:VAL431 3.7 24.0 1.0
CD1 C:ILE429 3.8 23.4 1.0
CZ B:TYR323 3.8 18.9 1.0
C B:PHE278 4.0 19.5 1.0
CA B:TYR280 4.0 18.4 1.0
CG1 C:ILE429 4.0 21.5 1.0
CD2 B:PHE278 4.0 21.0 1.0
CA B:PHE278 4.1 19.3 1.0
C B:PRO279 4.2 19.2 1.0
CA B:PRO279 4.3 19.4 1.0
CB B:PRO279 4.3 19.6 1.0
CG B:PHE278 4.3 20.4 1.0
CG B:PRO279 4.5 19.4 1.0
O B:PHE278 4.7 19.2 1.0
CD1 B:TYR323 4.8 18.2 1.0
CG B:TYR280 4.9 17.9 1.0
O C:ILE429 5.0 19.2 1.0

Reference:

B.Korkmaz, A.Lesner, M.Wysocka, A.Gieldon, M.Hakansson, F.Gauthier, D.T.Logan, D.E.Jenne, C.Lauritzen, J.Pedersen. Structure-Based Design and in Vivo Anti-Arthritic Activity Evaluation of A Potent Dipeptidyl Cyclopropyl Nitrile Inhibitor of Cathepsin C. Biochem. Pharmacol. V. 164 349 2019.
ISSN: ISSN 1873-2968
PubMed: 30978322
DOI: 10.1016/J.BCP.2019.04.006
Page generated: Sat Dec 12 13:10:11 2020

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