PDBe < PISA < EMBL-EBI

PISA Interface List.

Session Map (id=414-56-42B)

Interfaces in PDB 5ws1 crystal.
Space symmetry group: P 21 21 21. Resolution: 1.90 Å

STRUCTURE OF HUMAN PARP1 CATALYTIC DOMAIN BOUND TO A BENZOIMIDAZOLE INHIBITOR

Interfaces

##			Structure 1				×	Structure 2						interface area, Å²	ΔⁱG kcal/mol	ΔⁱG P-value	N_HB	N_SB	N_DS	CSS
Id	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	`1`		B	`93`	`29`	`16519`	`◊`	A	x,y,z	`1_555`	`107`	`36`	`16899`	`903.4`	`-2.6`	`0.547`	`6`	`0`	`0`	`0.000`
2	`2`		A	`84`	`22`	`16899`	`◊`	B	x-1,y,z	`1_455`	`85`	`23`	`16519`	`797.3`	`-2.5`	`0.500`	`8`	`3`	`0`	`0.000`
3	`3`		A	`89`	`23`	`16899`	`◊`	B	x-1/2,-y-1/2,-z	`4_445`	`71`	`17`	`16519`	`753.6`	`-7.3`	`0.150`	`11`	`1`	`0`	`0.055`
4	`4`		A	`51`	`16`	`16899`	`x`	A	x-1,y,z	`1_455`	`56`	`18`	`16899`	`505.3`	`2.0`	`0.708`	`8`	`3`	`0`	`0.000`
	`5`		B	`59`	`21`	`16519`	`x`	B	x-1,y,z	`1_455`	`46`	`13`	`16519`	`462.0`	`1.9`	`0.791`	`10`	`4`	`0`	`0.000`
	*Average:*													`483.7`	`2.0`	`0.749`	`9`	`4`	`0`	`0.000`
5	`6`		B	`44`	`16`	`16519`	`◊`	A	-x,y-1/2,-z+1/2	`3_545`	`40`	`11`	`16899`	`363.3`	`-2.7`	`0.367`	`1`	`0`	`0`	`0.000`
6	`7`		A	`33`	`8`	`16899`	`x`	A	x-1/2,-y-1/2,-z	`4_445`	`40`	`13`	`16899`	`333.3`	`-2.6`	`0.346`	`6`	`0`	`0`	`0.000`
7	`8`		[7U9]B:1101	`20`	`1`	`448`	`f`	B	x,y,z	`1_555`	`54`	`15`	`16519`	`309.0`	`-3.3`	`0.463`	`4`	`0`	`0`	`0.100`
	`9`		[7U9]A:1101	`20`	`1`	`449`	`f`	A	x,y,z	`1_555`	`53`	`16`	`16899`	`304.4`	`-3.2`	`0.437`	`4`	`0`	`0`	`0.100`
	*Average:*													`306.7`	`-3.2`	`0.450`	`4`	`0`	`0`	`0.100`
8	`10`		B	`26`	`7`	`16519`	`x`	B	-x,y-1/2,-z+1/2	`3_545`	`31`	`8`	`16519`	`275.9`	`-1.2`	`0.490`	`3`	`0`	`0`	`0.000`
9	`11`		A	`16`	`7`	`16899`	`◊`	B	-x-1/2,-y,z-1/2	`2_454`	`12`	`5`	`16519`	`97.3`	`-1.3`	`0.373`	`1`	`0`	`0`	`0.000`

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

Protein Data Bank
in Europe