PDBe < PISA < EMBL-EBI

PISA Interface List.

Session Map (id=851-EE-B1N)

Interfaces in PDB 2xp4 crystal.
Space symmetry group: P 31 2 1. Resolution: 1.80 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`	`22`	`8020`	`◊`	A	x-y,-y,-z+2/3	`5_555`	`81`	`22`	`8020`	`772.4`	`-2.2`	`0.480`	`8`	`12`	`0`	`0.044`
`2`		A	`66`	`16`	`8020`	`x`	A	-y,x-y+1,z+1/3	`2_565`	`66`	`20`	`8020`	`556.8`	`3.3`	`0.804`	`7`	`4`	`0`	`0.000`
`3`		[12P]A:1164	`18`	`1`	`523`	`f`	A	x,y,z	`1_555`	`42`	`14`	`8020`	`279.6`	`-3.6`	`0.607`	`0`	`0`	`0`	`0.104`
`4`		[G14]A:1165	`14`	`1`	`357`	`f`	A	x,y,z	`1_555`	`33`	`15`	`8020`	`223.8`	`1.9`	`0.225`	`4`	`0`	`0`	`0.000`
`5`		A	`12`	`2`	`8020`	`x`	A	x-y,-y+1,-z+2/3	`5_565`	`16`	`6`	`8020`	`141.9`	`0.0`	`0.586`	`1`	`2`	`0`	`0.000`
`6`		A	`10`	`6`	`8020`	`x`	A	y-1,x,-z+1	`4_456`	`10`	`4`	`8020`	`87.6`	`-0.7`	`0.403`	`0`	`0`	`0`	`0.000`
`7`		[12P]A:1164	`5`	`1`	`523`	`◊`	A	x-y,-y,-z+2/3	`5_555`	`6`	`4`	`8020`	`53.2`	`-1.4`	`0.592`	`0`	`0`	`0`	`0.016`

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

Protein Data Bank
in Europe