Protein Data Bank
in Europe

Bringing Structure to Biology

PDBePISA

pdbe.org/pisa

wwPDB

EMDataBank

PISA Interface List.

Session Map (id=932-45-689)

Interfaces in PDB 5kpn crystal.
Space symmetry group: P 21 21 21. Resolution: 2.30 Å

STRUCTURE OF HUMAN PARP1 CATALYTIC DOMAIN BOUND TO A QUINAZOLINE-2, 4(1H,3H)-DIONE 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	`85`	`29`	`16480`	`◊`	A	x,y,z	`1_555`	`94`	`33`	`16726`	`814.6`	`-1.4`	`0.580`	`8`	`0`	`0`	`0.000`
2	`2`		B	`80`	`23`	`16480`	`◊`	A	x-1,y,z	`1_455`	`89`	`23`	`16726`	`809.6`	`-3.1`	`0.458`	`8`	`2`	`0`	`0.000`
3	`3`		B	`66`	`17`	`16480`	`◊`	A	x-1/2,-y-1/2,-z	`4_445`	`76`	`20`	`16726`	`665.5`	`-8.4`	`0.106`	`3`	`0`	`0`	`0.000`
4	`4`		A	`60`	`20`	`16726`	`x`	A	x-1,y,z	`1_455`	`52`	`16`	`16726`	`522.4`	`2.2`	`0.744`	`8`	`2`	`0`	`0.000`
	`5`		B	`41`	`13`	`16480`	`x`	B	x-1,y,z	`1_455`	`57`	`22`	`16480`	`447.8`	`2.0`	`0.768`	`9`	`3`	`0`	`0.000`
	*Average:*													`485.1`	`2.1`	`0.756`	`9`	`3`	`0`	`0.000`
5	`6`		[6WX]B:1101	`31`	`1`	`642`	`f`	B	x,y,z	`1_555`	`78`	`25`	`16480`	`469.6`	`-5.6`	`0.494`	`6`	`0`	`0`	`0.100`
	`7`		[6WX]A:1101	`29`	`1`	`642`	`f`	A	x,y,z	`1_555`	`79`	`24`	`16726`	`453.7`	`-6.0`	`0.415`	`6`	`0`	`0`	`0.100`
	*Average:*													`461.6`	`-5.8`	`0.455`	`6`	`0`	`0`	`0.100`
6	`8`		B	`40`	`15`	`16480`	`◊`	A	-x,y-1/2,-z-1/2	`3_544`	`46`	`12`	`16726`	`372.0`	`-3.5`	`0.295`	`1`	`0`	`0`	`0.000`
7	`9`		A	`37`	`10`	`16726`	`x`	A	x-1/2,-y-1/2,-z	`4_445`	`32`	`8`	`16726`	`313.1`	`-4.3`	`0.170`	`4`	`0`	`0`	`0.000`
8	`10`		B	`30`	`8`	`16480`	`x`	B	-x,y-1/2,-z-1/2	`3_544`	`33`	`8`	`16480`	`277.7`	`-0.8`	`0.543`	`2`	`1`	`0`	`0.000`
9	`11`		B	`7`	`3`	`16480`	`◊`	A	-x+1/2,-y,z-1/2	`2_554`	`11`	`5`	`16726`	`73.8`	`-0.2`	`0.487`	`0`	`0`	`0`	`0.000`

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