PDBe < PISA < EMBL-EBI

PISA Interface List.

Session Map (id=531-01-09A)

Interfaces in PDB 2xp9 crystal.
Space symmetry group: P 31 2 1. Resolution: 1.90 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	`81`	`24`	`8041`	`◊`	A	-x,-x+y,-z+1/3	`6_555`	`82`	`24`	`8041`	`746.3`	`-0.9`	`0.608`	`8`	`12`	`0`	`0.000`
`2`		A	`61`	`17`	`8041`	`x`	A	-y,x-y-1,z+1/3	`2_545`	`62`	`19`	`8041`	`560.2`	`1.0`	`0.671`	`6`	`3`	`0`	`0.000`
`3`		[4G8]A:1165	`24`	`1`	`581`	`f`	A	x,y,z	`1_555`	`39`	`15`	`8041`	`320.9`	`0.7`	`0.298`	`6`	`0`	`0`	`0.033`
`4`		[12P]A:1164	`17`	`1`	`527`	`f`	A	x,y,z	`1_555`	`43`	`15`	`8041`	`281.8`	`-3.5`	`0.584`	`1`	`0`	`0`	`0.067`
`5`		A	`20`	`7`	`8041`	`x`	A	-x+1,-x+y,-z+1/3	`6_655`	`12`	`2`	`8041`	`143.8`	`0.2`	`0.612`	`1`	`0`	`0`	`0.000`
`6`		A	`11`	`6`	`8041`	`x`	A	x-y-1,-y-1,-z+2/3	`5_445`	`11`	`4`	`8041`	`91.6`	`0.3`	`0.637`	`1`	`0`	`0`	`0.000`
`7`		[12P]A:1164	`4`	`1`	`527`	`◊`	A	-x,-x+y,-z+1/3	`6_555`	`7`	`4`	`8041`	`56.1`	`-0.8`	`0.593`	`0`	`0`	`0`	`0.000`

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

Protein Data Bank
in Europe