PDBe < PISA < EMBL-EBI

PISA Interface List.

Session Map (id=276-08-6KC)

Interfaces in PDB 2xp7 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	`82`	`24`	`8007`	`◊`	A	-x,-x+y,-z+1/3	`6_555`	`81`	`24`	`8007`	`754.7`	`-3.4`	`0.444`	`6`	`8`	`0`	`0.000`
`2`		A	`66`	`19`	`8007`	`x`	A	-y,x-y+1,z+1/3	`2_565`	`59`	`14`	`8007`	`531.2`	`2.0`	`0.752`	`4`	`3`	`0`	`0.000`
`3`		[12P]A:1165	`23`	`1`	`635`	`f`	A	x,y,z	`1_555`	`53`	`16`	`8007`	`339.4`	`-4.9`	`0.622`	`3`	`0`	`0`	`0.052`
`4`		[4F8]A:1164	`17`	`1`	`402`	`f`	A	x,y,z	`1_555`	`37`	`14`	`8007`	`261.9`	`-2.3`	`0.421`	`8`	`0`	`0`	`0.048`
`5`		A	`18`	`7`	`8007`	`x`	A	-x-1,-x+y-1,-z+1/3	`6_445`	`12`	`2`	`8007`	`135.2`	`-0.7`	`0.482`	`0`	`0`	`0`	`0.000`
`6`		A	`9`	`3`	`8007`	`x`	A	y-1,x,-z	`4_455`	`11`	`5`	`8007`	`86.6`	`0.0`	`0.585`	`1`	`0`	`0`	`0.000`
`7`		[12P]A:1165	`8`	`1`	`635`	`◊`	A	-x,-x+y,-z+1/3	`6_555`	`10`	`5`	`8007`	`67.1`	`-0.4`	`0.746`	`0`	`0`	`0`	`0.000`

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

Protein Data Bank
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