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PISA Interface List.

Session Map (id=922-0E-5EF)

Interfaces in PDB 2xp5 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	`90`	`25`	`8042`	`◊`	A	x-y,-y,-z+2/3	`5_555`	`90`	`25`	`8042`	`807.0`	`-2.0`	`0.521`	`10`	`8`	`0`	`0.000`
`2`		A	`69`	`17`	`8042`	`x`	A	-y,x-y+1,z+1/3	`2_565`	`69`	`19`	`8042`	`536.9`	`3.1`	`0.805`	`8`	`4`	`0`	`0.000`
`3`		[12P]A:1164	`23`	`1`	`659`	`f`	A	x,y,z	`1_555`	`50`	`16`	`8042`	`344.4`	`-5.7`	`0.608`	`0`	`0`	`0`	`0.087`
`4`		[4FF]A:1165	`15`	`1`	`382`	`f`	A	x,y,z	`1_555`	`39`	`15`	`8042`	`235.1`	`0.4`	`0.189`	`3`	`0`	`0`	`0.013`
`5`		A	`13`	`2`	`8042`	`x`	A	x-y,-y+1,-z+2/3	`5_565`	`16`	`6`	`8042`	`146.1`	`-0.0`	`0.585`	`1`	`2`	`0`	`0.000`
`6`		A	`13`	`6`	`8042`	`x`	A	y-1,x,-z+1	`4_456`	`9`	`3`	`8042`	`91.1`	`-0.2`	`0.519`	`1`	`0`	`0`	`0.000`
`7`		[12P]A:1164	`9`	`1`	`659`	`◊`	A	x-y,-y,-z+2/3	`5_555`	`12`	`5`	`8042`	`87.2`	`0.4`	`0.788`	`0`	`0`	`0`	`0.000`
`8`		[12P]A:1164	`1`	`1`	`659`	`◊`	[12P]A:1164	x-y,-y,-z+2/3	`5_555`	`1`	`1`	`659`	`11.1`	`-0.4`	`0.826`	`0`	`0`	`0`	`0.000`

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