Fluorine in PDB 6cm4: Structure of the D2 Dopamine Receptor Bound to the Atypical Antipsychotic Drug Risperidone

Enzymatic activity of Structure of the D2 Dopamine Receptor Bound to the Atypical Antipsychotic Drug Risperidone

All present enzymatic activity of Structure of the D2 Dopamine Receptor Bound to the Atypical Antipsychotic Drug Risperidone:
3.2.1.17;

Protein crystallography data

The structure of Structure of the D2 Dopamine Receptor Bound to the Atypical Antipsychotic Drug Risperidone, PDB code: 6cm4 was solved by S.Wang, T.Che, A.Levit, B.K.Shoichet, D.Wacker, B.L.Roth, with X-Ray Crystallography technique. A brief refinement statistics is given in the table below:

*Resolution Low / High (Å)*	29.55 / 2.87
*Space group*	P 2₁ 2₁ 2₁
*Cell size a, b, c (Å), α, β, γ (°)*	50.979, 72.523, 151.307, 90.00, 90.00, 90.00
*R / R_free (%)*	22.6 / 24.9

Fluorine Binding Sites:

The binding sites of Fluorine atom in the Structure of the D2 Dopamine Receptor Bound to the Atypical Antipsychotic Drug Risperidone (pdb code 6cm4). This binding sites where shown within 5.0 Angstroms radius around Fluorine atom.
In total only one binding site of Fluorine was determined in the Structure of the D2 Dopamine Receptor Bound to the Atypical Antipsychotic Drug Risperidone, PDB code: 6cm4:

Fluorine binding site 1 out of 1 in 6cm4

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Fluorine Binding Sites List in 6cm4

Fluorine binding site 1 out of 1 in the Structure of the D2 Dopamine Receptor Bound to the Atypical Antipsychotic Drug Risperidone

Mono view

Stereo pair view

A full contact list of Fluorine with other atoms in the F binding site number 1 of Structure of the D2 Dopamine Receptor Bound to the Atypical Antipsychotic Drug Risperidone within 5.0Å range:

probe	atom	residue	distance (Å)	B	Occ
A:F2001 b:71.1 occ:1.00	F20	A:8NU2001	0.0	71.1	1.0
	C19	A:8NU2001	1.3	70.6	1.0
	C18	A:8NU2001	2.4	57.8	1.0
	C21	A:8NU2001	2.4	71.7	1.0
	CB	A:ALA122	3.3	63.0	1.0
	O	A:CYS118	3.3	62.3	1.0
	CZ	A:PHE382	3.4	65.0	1.0
	O	A:SER197	3.6	71.8	1.0
	C15	A:8NU2001	3.6	77.4	1.0
	C17	A:8NU2001	3.6	58.3	1.0
	CD1	A:PHE198	3.7	73.3	1.0
	CE2	A:PHE382	3.8	62.4	1.0
	C16	A:8NU2001	4.1	77.3	1.0
	C	A:CYS118	4.2	68.3	1.0
	CA	A:ALA122	4.4	64.1	1.0
	CA	A:PHE198	4.5	61.8	1.0
	C	A:SER197	4.5	64.9	1.0
	N	A:ALA122	4.5	66.2	1.0
	CB	A:PHE198	4.5	62.3	1.0
	CE1	A:PHE198	4.5	70.1	1.0
	CG	A:PHE198	4.6	71.9	1.0
	CA	A:THR119	4.6	68.9	1.0
	CE1	A:PHE382	4.6	75.9	1.0
	N	A:THR119	4.7	71.9	1.0
	O14	A:8NU2001	4.8	84.8	1.0
	CB	A:CYS118	4.9	71.9	1.0
	N	A:PHE198	4.9	56.6	1.0

Reference:

S.Wang, T.Che, A.Levit, B.K.Shoichet, D.Wacker, B.L.Roth. Structure of the D2 Dopamine Receptor Bound to the Atypical Antipsychotic Drug Risperidone. Nature V. 555 269 2018.
ISSN: ESSN 1476-4687
PubMed: 29466326
DOI: 10.1038/NATURE25758

Page generated: Thu Aug 1 18:34:34 2024

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