PDBe < PISA < EMBL-EBI

PISA Interface List.

Session Map (id=331-H9-NH3)

Interfaces in PDB 2xp8 crystal.
Space symmetry group: P 31 2 1. Resolution: 2.10 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	`103`	`26`	`8135`	`◊`	A	x-y,-y,-z+2/3	`5_555`	`103`	`26`	`8135`	`878.7`	`-1.2`	`0.591`	`4`	`2`	`0`	`0.000`
`2`		A	`66`	`18`	`8135`	`x`	A	-y,x-y+1,z+1/3	`2_565`	`69`	`18`	`8135`	`585.6`	`2.1`	`0.705`	`9`	`5`	`0`	`0.000`
`3`		[4FY]A:1165	`21`	`1`	`478`	`f`	A	x,y,z	`1_555`	`39`	`15`	`8135`	`277.8`	`-5.1`	`0.288`	`6`	`0`	`0`	`0.059`
`4`		[12P]A:1164	`12`	`1`	`391`	`f`	A	x,y,z	`1_555`	`35`	`9`	`8135`	`200.9`	`-4.9`	`0.676`	`1`	`0`	`0`	`0.041`
`5`		A	`12`	`2`	`8135`	`x`	A	x-y,-y+1,-z+2/3	`5_565`	`20`	`7`	`8135`	`144.4`	`0.4`	`0.646`	`1`	`0`	`0`	`0.000`
`6`		A	`11`	`5`	`8135`	`x`	A	y-1,x,-z+1	`4_456`	`9`	`3`	`8135`	`90.0`	`-0.9`	`0.373`	`0`	`0`	`0`	`0.000`
`7`		[12P]A:1164	`5`	`1`	`391`	`◊`	A	x-y,-y,-z+2/3	`5_555`	`6`	`4`	`8135`	`56.5`	`-0.6`	`0.764`	`1`	`0`	`0`	`0.000`
`8`		[12P]A:1164	`1`	`1`	`391`	`◊`	A	-y,x-y+1,z+1/3	`2_565`	`2`	`1`	`8135`	`6.4`	`-0.1`	`0.782`	`0`	`0`	`0`	`0.000`

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

Protein Data Bank
in Europe