Chlorine in PDB 3n7o: X-Ray Structure of Human Chymase in Complex with Small Molecule Inhibitor.

Enzymatic activity of X-Ray Structure of Human Chymase in Complex with Small Molecule Inhibitor.

All present enzymatic activity of X-Ray Structure of Human Chymase in Complex with Small Molecule Inhibitor.:
3.4.21.39;

Protein crystallography data

The structure of X-Ray Structure of Human Chymase in Complex with Small Molecule Inhibitor., PDB code: 3n7o was solved by M.C.Abad, J.Kervinen, C.Crysler, S.Bayoumy, J.Spurlino, I.Deckman, M.N.Greco, B.E.Maryanoff, L.Degaravilla, with X-Ray Crystallography technique. A brief refinement statistics is given in the table below:

*Resolution Low / High (Å)*	39.36 / 1.80
*Space group*	I 2 3
*Cell size a, b, c (Å), α, β, γ (°)*	124.475, 124.475, 124.475, 90.00, 90.00, 90.00
*R / R_free (%)*	18.3 / 21

Other elements in 3n7o:

The structure of X-Ray Structure of Human Chymase in Complex with Small Molecule Inhibitor. also contains other interesting chemical elements:

Fluorine

(F)

2 atoms

Chlorine Binding Sites:

The binding sites of Chlorine atom in the X-Ray Structure of Human Chymase in Complex with Small Molecule Inhibitor. (pdb code 3n7o). 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 X-Ray Structure of Human Chymase in Complex with Small Molecule Inhibitor., PDB code: 3n7o:

Chlorine binding site 1 out of 1 in 3n7o

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Chlorine Binding Sites List in 3n7o

Chlorine binding site 1 out of 1 in the X-Ray Structure of Human Chymase in Complex with Small Molecule Inhibitor.

Mono view

Stereo pair view

A full contact list of Chlorine with other atoms in the Cl binding site number 1 of X-Ray Structure of Human Chymase in Complex with Small Molecule Inhibitor. within 5.0Å range:

probe	atom	residue	distance (Å)	B	Occ
A:Cl1 b:17.6 occ:1.00	CL26	A:N7O1	0.0	17.6	1.0
	C25	A:N7O1	1.7	18.1	1.0
	C27	A:N7O1	2.7	15.0	1.0
	C24	A:N7O1	2.7	18.5	1.0
	CG1	A:VAL213	3.4	12.4	1.0
	C	A:ALA190	3.6	16.1	1.0
	N	A:PHE191	3.6	17.2	1.0
	O	A:ALA190	3.6	18.8	1.0
	CB	A:ALA190	3.6	17.8	1.0
	CA	A:PHE191	3.8	16.4	1.0
	O	A:PHE191	3.8	16.5	1.0
	C23	A:N7O1	4.0	19.4	1.0
	C	A:PHE191	4.0	16.3	1.0
	C28	A:N7O1	4.0	16.7	1.0
	CB	A:ALA226	4.0	13.7	1.0
	CA	A:ALA190	4.2	18.4	1.0
	O	A:TYR215	4.3	15.2	1.0
	C	A:TYR215	4.3	16.3	1.0
	C22	A:N7O1	4.4	19.5	1.0
	CA	A:TYR215	4.6	15.0	1.0
	N	A:GLY216	4.7	17.5	1.0
	N	A:TYR215	4.7	12.5	1.0
	CB	A:VAL213	4.8	13.1	1.0
	N	A:LYS192	4.9	19.9	1.0

Reference:

J.Kervinen, C.Crysler, S.Bayoumy, M.C.Abad, J.Spurlino, I.Deckman, M.N.Greco, B.E.Maryanoff, L.De Garavilla. Potency Variation of Small-Molecule Chymase Inhibitors Across Species. Biochem. Pharmacol. V. 80 1033 2010.
ISSN: ISSN 1873-2968
PubMed: 20599788
DOI: 10.1016/J.BCP.2010.06.014

Page generated: Sun Jul 21 00:41:49 2024

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