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 / R_free (%)*	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

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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: Sun Jul 28 01:39:41 2024

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