3DDPDs: describing protein dynamics for proteochemometric bioactivity prediction. A case for (mutant) G protein-coupled receptors

Table 1 Wildtype GPCR MD trajectories selected from GPCRmd

GPCR	PDB	GPCRmd ID	Resolution (Å)
5HT1B	4IAR	87	2.80
5HT2B	4IB4	92	2.70
AA1R	5UEN	165	3.20
AA2AR	5IU4	49	1.72
ACM1	5CXV	154	2.70
ACM2	3UON	111	3.00
ACM4	5DSG	157	2.60
ADRB2	2RH1	11	2.40
AGTR1	4ZUD	189	2.80
CCR5	4MBS	118	2.71
CNR1	5U09	163	2.60
CXCR4	3ODU	101	2.50
DRD3	3PBL	105	2.89
EDNRB	5GLH	158	2.80
FFAR1	4PHU	75	2.33
HRH1	3RZE	108	3.10
LPAR1	4Z35	184	2.90
OPRD	4N6H	73	1.80
OPRK	4DJH	59	2.90
OPRX	5DHH	155	3.00
OX1R	4ZJ8	186	2.75
OX2R	4S0V	91	2.50
P2RY1	4XNV	179	2.20
P2Y12	4PXZ	77	2.50
PAR1	3VW7	128	2.20

ISSN: 1758-2946