Chlorine in PDB 5jha: Structure of Phosphoinositide 3-Kinase Gamma (PI3K) Bound to the Potent Inhibitor PIKIN2

Enzymatic activity of Structure of Phosphoinositide 3-Kinase Gamma (PI3K) Bound to the Potent Inhibitor PIKIN2

All present enzymatic activity of Structure of Phosphoinositide 3-Kinase Gamma (PI3K) Bound to the Potent Inhibitor PIKIN2:
2.7.1.153; 2.7.11.1;

Protein crystallography data

The structure of Structure of Phosphoinositide 3-Kinase Gamma (PI3K) Bound to the Potent Inhibitor PIKIN2, PDB code: 5jha was solved by J.E.Burke, A.J.Inglis, R.L.Williams, with X-Ray Crystallography technique. A brief refinement statistics is given in the table below:

*Resolution Low / High (Å)*	61.51 / 2.51
*Space group*	C 1 2 1
*Cell size a, b, c (Å), α, β, γ (°)*	144.560, 68.040, 106.730, 90.00, 95.36, 90.00
*R / R_free (%)*	20.2 / 24.6

Other elements in 5jha:

The structure of Structure of Phosphoinositide 3-Kinase Gamma (PI3K) Bound to the Potent Inhibitor PIKIN2 also contains other interesting chemical elements:

Fluorine

(F)

3 atoms

Chlorine Binding Sites:

The binding sites of Chlorine atom in the Structure of Phosphoinositide 3-Kinase Gamma (PI3K) Bound to the Potent Inhibitor PIKIN2 (pdb code 5jha). 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 Structure of Phosphoinositide 3-Kinase Gamma (PI3K) Bound to the Potent Inhibitor PIKIN2, PDB code: 5jha:

Chlorine binding site 1 out of 1 in 5jha

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Chlorine Binding Sites List in 5jha

Chlorine binding site 1 out of 1 in the Structure of Phosphoinositide 3-Kinase Gamma (PI3K) Bound to the Potent Inhibitor PIKIN2

Mono view

Stereo pair view

A full contact list of Chlorine with other atoms in the Cl binding site number 1 of Structure of Phosphoinositide 3-Kinase Gamma (PI3K) Bound to the Potent Inhibitor PIKIN2 within 5.0Å range:

probe	atom	residue	distance (Å)	B	Occ
A:Cl1201 b:0.0 occ:1.00	CL	A:6K71201	0.0	0.0	1.0
	CBD	A:6K71201	1.7	0.9	1.0
	HBD2	A:6K71201	2.3	0.3	1.0
	HBD1	A:6K71201	2.3	0.3	1.0
	HBC	A:6K71201	2.4	0.4	1.0
	HAV1	A:6K71201	2.7	0.2	1.0
	CBA	A:6K71201	2.7	0.1	1.0
	OBC	A:6K71201	3.1	0.9	1.0
	CAV	A:6K71201	3.1	0.4	1.0
	CBB	A:6K71201	3.4	0.4	1.0
	HBB2	A:6K71201	3.8	0.5	1.0
	HAV2	A:6K71201	3.8	0.2	1.0
	CAZ	A:6K71201	4.0	0.8	1.0
	NAU	A:6K71201	4.1	99.2	1.0
	HAZ2	A:6K71201	4.2	0.0	1.0
	HBB1	A:6K71201	4.3	0.5	1.0
	SD	A:MET804	4.4	0.1	1.0
	CG	A:MET804	4.6	0.2	1.0
	CB	A:MET804	4.6	0.5	1.0
	O	A:MET804	4.6	0.4	1.0
	HAZ1	A:6K71201	4.8	0.0	1.0

Reference:

T.Bohnacker, A.E.Prota, F.Beaufils, J.E.Burke, A.Melone, A.J.Inglis, D.Rageot, A.M.Sele, V.Cmiljanovic, N.Cmiljanovic, K.Bargsten, A.Aher, A.Akhmanova, J.F.Diaz, D.Fabbro, M.Zvelebil, R.L.Williams, M.O.Steinmetz, M.P.Wymann. Deconvolution of Buparlisib'S Mechanism of Action Defines Specific PI3K and Tubulin Inhibitors For Therapeutic Intervention. Nat Commun V. 8 14683 2017.
ISSN: ESSN 2041-1723
PubMed: 28276440
DOI: 10.1038/NCOMMS14683

Page generated: Sat Dec 12 11:53:17 2020

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