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PISA Interface List.

Session Map (id=585-8I-9IG)

Interfaces in PDB 4bdg crystal.
Space symmetry group: P 32 2 1. Resolution: 2.84 Å

FRAGMENT-BASED SCREENING IDENTIFIES A NEW AREA FOR INHIBITOR BINDING TO CHECKPOINT KINASE 2 (CHK2)

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	`139`	`40`	`15726`	`◊`	A	-x,-x+y,-z+2/3	`6_555`	`140`	`40`	`15726`	`1240.6`	`-15.8`	`0.418`	`12`	`8`	`0`	`0.685`
`2`		A	`65`	`16`	`15726`	`x`	A	x-y,-y+1,-z+1/3	`5_565`	`83`	`25`	`15726`	`755.5`	`-6.7`	`0.566`	`9`	`4`	`0`	`0.000`
`3`		A	`47`	`18`	`15726`	`x`	A	y-1,x,-z	`4_455`	`33`	`6`	`15726`	`401.4`	`-6.8`	`0.209`	`3`	`0`	`0`	`0.000`
`4`		A	`23`	`8`	`15726`	`◊`	A	x-y,-y,-z+1/3	`5_555`	`23`	`8`	`15726`	`250.5`	`-1.6`	`0.605`	`0`	`0`	`0`	`0.000`
`5`		[P3J]A:1513	`12`	`1`	`325`	`f`	A	x,y,z	`1_555`	`32`	`14`	`15726`	`231.3`	`4.3`	`0.390`	`2`	`0`	`0`	`0.000`
`6`		A	`20`	`9`	`15726`	`x`	A	-y,x-y+1,z-1/3	`2_564`	`14`	`7`	`15726`	`143.8`	`-0.4`	`0.679`	`2`	`0`	`0`	`0.000`
`7`		[NO3]A:1514	`4`	`1`	`160`	`f`	A	x,y,z	`1_555`	`9`	`4`	`15726`	`84.1`	`1.6`	`0.811`	`6`	`0`	`0`	`0.068`
`8`		A	`9`	`3`	`15726`	`◊`	A	-x,-x+y,-z-1/3	`6_554`	`9`	`3`	`15726`	`75.1`	`-1.3`	`0.434`	`2`	`2`	`0`	`0.000`
`9`		[EDO]A:1515	`4`	`1`	`186`	`f`	A	x,y,z	`1_555`	`9`	`4`	`15726`	`65.9`	`2.1`	`0.905`	`2`	`0`	`0`	`0.000`
`10`		[CL]A:1516	`1`	`1`	`125`	`f`	A	x,y,z	`1_555`	`9`	`4`	`15726`	`61.6`	`-8.7`	`0.000`	`0`	`0`	`0`	`0.533`
`11`		[CL]A:1516	`1`	`1`	`125`	`◊`	A	x-y,-y+1,-z+1/3	`5_565`	`5`	`3`	`15726`	`38.2`	`-3.5`	`0.000`	`0`	`0`	`0`	`0.000`
`12`		A	`1`	`1`	`15726`	`x`	A	-y+1,x-y+1,z+2/3	`2_665`	`2`	`2`	`15726`	`17.6`	`-0.1`	`0.508`	`0`	`0`	`0`	`0.000`
`13`		A	`2`	`1`	`15726`	`◊`	[NO3]A:1514	x-y,-y+1,-z+1/3	`5_565`	`3`	`1`	`160`	`11.7`	`0.5`	`0.955`	`0`	`0`	`0`	`0.000`

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