PDBe < PISA < EMBL-EBI

PISA Interface List.

Session Map (id=653-H1-442)

Interfaces in PDB 2xp3 crystal.
Space symmetry group: P 31 2 1. Resolution: 2.00 Å

DISCOVERY OF CELL-ACTIVE PHENYL-IMIDAZOLE PIN1 INHIBITORS BY STRUCTURE-GUIDED FRAGMENT EVOLUTION

Interfaces

##		Structure 1				×	Structure 2						interface area, Å²	ΔⁱG kcal/mol	ΔⁱG P-value	N_HB	N_SB	N_DS	CSS
NN	«»	Range	ⁱN_at	ⁱN_res	Surface Å²	×	Range	Symmetry op-n	Sym.ID	ⁱN_at	ⁱN_res	Surface Å²	interface area, Å²	ΔⁱG kcal/mol	ΔⁱG P-value	N_HB	N_SB	N_DS	CSS
`1`		A	`89`	`25`	`8016`	`◊`	A	-x,-x+y,-z+1/3	`6_555`	`91`	`25`	`8016`	`749.4`	`-2.1`	`0.522`	`6`	`8`	`0`	`0.000`
`2`		A	`58`	`13`	`8016`	`x`	A	-y,x-y-1,z+1/3	`2_545`	`65`	`20`	`8016`	`500.3`	`2.4`	`0.775`	`5`	`2`	`0`	`0.000`
`3`		[12P]A:1164	`17`	`1`	`497`	`f`	A	x,y,z	`1_555`	`42`	`14`	`8016`	`252.2`	`-3.4`	`0.607`	`0`	`0`	`0`	`0.029`
`4`		[B21]A:1165	`15`	`1`	`399`	`f`	A	x,y,z	`1_555`	`39`	`14`	`8016`	`248.2`	`-7.0`	`0.182`	`3`	`0`	`0`	`0.071`
`5`		A	`17`	`6`	`8016`	`x`	A	-x+1,-x+y,-z+1/3	`6_655`	`14`	`2`	`8016`	`150.5`	`-0.1`	`0.560`	`1`	`2`	`0`	`0.000`
`6`		A	`13`	`5`	`8016`	`x`	A	x-y-1,-y-1,-z+2/3	`5_445`	`10`	`3`	`8016`	`90.6`	`-0.6`	`0.425`	`0`	`0`	`0`	`0.000`
`7`		[12P]A:1164	`6`	`1`	`497`	`◊`	A	-x,-x+y,-z+1/3	`6_555`	`8`	`4`	`8016`	`55.5`	`-1.5`	`0.611`	`0`	`0`	`0`	`0.000`

PDBe PISA v1.52 [20/10/2014]

Protein Data Bank
in Europe