Chlorine in PDB 7jr8: H-Pdgs Complexed with A 2-Phenylimidazo[1,2-A]Pyridine-6-Carboxamide Inhibitors

Enzymatic activity of H-Pdgs Complexed with A 2-Phenylimidazo[1,2-A]Pyridine-6-Carboxamide Inhibitors

All present enzymatic activity of H-Pdgs Complexed with A 2-Phenylimidazo[1,2-A]Pyridine-6-Carboxamide Inhibitors:
2.5.1.18; 5.3.99.2;

Protein crystallography data

The structure of H-Pdgs Complexed with A 2-Phenylimidazo[1,2-A]Pyridine-6-Carboxamide Inhibitors, PDB code: 7jr8 was solved by R.T.Nolte, D.O.Somers, R.T.Gampe, with X-Ray Crystallography technique. A brief refinement statistics is given in the table below:

*Resolution Low / High (Å)*	32.55 / 1.13
*Space group*	P 1 2₁ 1
*Cell size a, b, c (Å), α, β, γ (°)*	47.082, 93.489, 47.913, 90, 105.52, 90
*R / R_free (%)*	11.5 / 14.3

Other elements in 7jr8:

The structure of H-Pdgs Complexed with A 2-Phenylimidazo[1,2-A]Pyridine-6-Carboxamide Inhibitors also contains other interesting chemical elements:

Magnesium	(Mg)	2 atoms
Sodium	(Na)	3 atoms

Chlorine Binding Sites:

The binding sites of Chlorine atom in the H-Pdgs Complexed with A 2-Phenylimidazo[1,2-A]Pyridine-6-Carboxamide Inhibitors (pdb code 7jr8). 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 H-Pdgs Complexed with A 2-Phenylimidazo[1,2-A]Pyridine-6-Carboxamide Inhibitors, PDB code: 7jr8:

Chlorine binding site 1 out of 1 in 7jr8

Go back to

Chlorine Binding Sites List in 7jr8

Chlorine binding site 1 out of 1 in the H-Pdgs Complexed with A 2-Phenylimidazo[1,2-A]Pyridine-6-Carboxamide Inhibitors

Mono view

Stereo pair view

A full contact list of Chlorine with other atoms in the Cl binding site number 1 of H-Pdgs Complexed with A 2-Phenylimidazo[1,2-A]Pyridine-6-Carboxamide Inhibitors within 5.0Å range:

probe	atom	residue	distance (Å)	B	Occ
A:Cl201 b:12.6 occ:1.00	HD22	A:ASN189	2.3	13.8	1.0
	ND2	A:ASN189	3.2	11.5	1.0
	O	A:HOH431	3.2	6.4	0.8
	HB2	A:ASN189	3.3	8.8	1.0
	HA	A:ALA186	3.4	7.1	1.0
	HD21	A:ASN189	3.7	13.8	1.0
	HB3	A:ASN189	3.8	8.8	1.0
	CB	A:ASN189	3.9	7.3	1.0
	HH22	A:ARG193	4.0	10.7	1.0
	CG	A:ASN189	4.0	10.6	1.0
	CA	A:ALA186	4.4	5.9	1.0
	O	A:PRO185	4.5	5.9	1.0
	NH2	A:ARG193	4.7	8.9	1.0
	C	A:PRO185	4.8	6.2	1.0
	N	A:ALA186	4.8	5.3	1.0
	HB2	A:ALA186	4.9	7.2	1.0
	O	A:HOH433	5.0	18.8	1.0
	HH21	A:ARG193	5.0	10.7	1.0

Reference:

D.N.Deaton, E.Diaz, Y.Do, R.T.Gampe, J.H.Guss, A.P.Hancock, H.Hobbs, S.T.Hodgson, J.Holt, M.R.Jeune, K.M.Kahler, H.F.Kramer, J.Le, P.N.Mortenson, C.Musetti, R.T.Nolte, L.A.Orband-Miller, G.E.Peckham, K.G.Petrov, B.L.Pietrak, C.Poole, D.J.Price, G.Saxty, C.A.Schulte, A.Shillings, T.L.Smalley Jr., D.O.Somers, E.L.Stewart, J.D.Stuart, S.A.Thomson. A Knowledge-Based, Structural-Aided Discovery of A Novel Class of 2-Phenylimidazo[1,2-A]Pyridine-6-Carboxamide H-Pgds Inhibitors. Bioorg.Med.Chem.Lett. 28113 2021.
ISSN: ESSN 1464-3405
PubMed: 33991628
DOI: 10.1016/J.BMCL.2021.128113

Page generated: Sun Jul 13 03:03:59 2025

Last articles

Mn in 9LJU
Mn in 9LJW
Mn in 9LJS
Mn in 9LJR
Mn in 9LJT
Mn in 9LJV
Mg in 9UA2
Mg in 9R96
Mg in 9VM1
Mg in 9P01

	© Copyright 2008-2020 by atomistry.com
Home \| Site Map \| Copyright \| Contact us \| Privacy