Chlorine in PDB 3ipq: X-Ray Structure of GW3965 Synthetic Agonist Bound to the Lxr-Alpha

Enzymatic activity of X-Ray Structure of GW3965 Synthetic Agonist Bound to the Lxr-Alpha

All present enzymatic activity of X-Ray Structure of GW3965 Synthetic Agonist Bound to the Lxr-Alpha:
2.3.1.48;

Protein crystallography data

The structure of X-Ray Structure of GW3965 Synthetic Agonist Bound to the Lxr-Alpha, PDB code: 3ipq was solved by X.Fradera, D.Vu, O.Nimz, R.Skene, D.Hosfield, R.Wijnands, A.J.Cooke, A.Haunso, A.King, D.J.Bennet, R.Mcguire, J.C.M.Uitdehaag, with X-Ray Crystallography technique. A brief refinement statistics is given in the table below:

*Resolution Low / High (Å)*	15.75 / 2.00
*Space group*	I 4 2 2
*Cell size a, b, c (Å), α, β, γ (°)*	125.593, 125.593, 92.405, 90.00, 90.00, 90.00
*R / R_free (%)*	19.9 / 23.4

Other elements in 3ipq:

The structure of X-Ray Structure of GW3965 Synthetic Agonist Bound to the Lxr-Alpha also contains other interesting chemical elements:

Fluorine

(F)

3 atoms

Chlorine Binding Sites:

The binding sites of Chlorine atom in the X-Ray Structure of GW3965 Synthetic Agonist Bound to the Lxr-Alpha (pdb code 3ipq). 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 GW3965 Synthetic Agonist Bound to the Lxr-Alpha, PDB code: 3ipq:

Chlorine binding site 1 out of 1 in 3ipq

Go back to

Chlorine Binding Sites List in 3ipq

Chlorine binding site 1 out of 1 in the X-Ray Structure of GW3965 Synthetic Agonist Bound to the Lxr-Alpha

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 GW3965 Synthetic Agonist Bound to the Lxr-Alpha within 5.0Å range:

probe	atom	residue	distance (Å)	B	Occ
A:Cl801 b:46.2 occ:1.00	CL4	A:965801	0.0	46.2	1.0
	C19	A:965801	1.8	40.8	1.0
	C20	A:965801	2.8	40.8	1.0
	C18	A:965801	2.8	39.6	1.0
	F41	A:965801	2.8	42.0	1.0
	C39	A:965801	3.1	40.8	1.0
	C16	A:965801	3.1	37.3	1.0
	F42	A:965801	3.2	40.0	1.0
	CG2	A:THR258	3.9	28.2	1.0
	C21	A:965801	4.1	40.9	1.0
	C23	A:965801	4.1	39.8	1.0
	N09	A:965801	4.1	28.6	1.0
	CD2	A:LEU331	4.2	26.1	1.0
	CE1	A:PHE254	4.2	40.9	1.0
	C08	A:965801	4.3	27.4	1.0
	CB	A:PHE257	4.3	29.4	1.0
	F40	A:965801	4.4	41.5	1.0
	CD1	A:LEU331	4.4	30.2	1.0
	N	A:THR258	4.4	29.8	1.0
	C22	A:965801	4.6	40.9	1.0
	CD1	A:PHE254	4.7	41.8	1.0
	C	A:PHE257	4.7	30.0	1.0
	CA	A:THR258	4.7	28.9	1.0
	CZ	A:PHE254	4.7	41.0	1.0
	CB	A:THR258	4.9	28.8	1.0
	CG	A:LEU331	4.9	30.9	1.0
	O	A:PHE257	5.0	30.7	1.0

Reference:

X.Fradera, D.Vu, O.Nimz, R.Skene, D.Hosfield, R.Wynands, A.J.Cooke, A.Haunso, A.King, D.J.Bennett, R.Mcguire, J.C.Uitdehaag. X-Ray Structures of the Lxralpha Lbd in Its Homodimeric Form and Implications For Heterodimer Signaling. J.Mol.Biol. V. 399 120 2010.
ISSN: ISSN 0022-2836
PubMed: 20382159
DOI: 10.1016/J.JMB.2010.04.005

Page generated: Sat Jul 20 21:48:24 2024

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