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Interfaces in PDB 5a00 crystal.
Space symmetry group: I 2 2 2. Resolution: 2.75 Å

STRUCTURE OF HUMAN PARP1 CATALYTIC DOMAIN BOUND TO AN ISOINDOLINONE INHIBITOR

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	`63`	`25`	`16533`	`◊`	A	-x+1,y,-z+1	`3_656`	`61`	`25`	`16533`	`610.5`	`-5.9`	`0.236`	`2`	`2`	`0`	`0.088`
`2`		A	`58`	`19`	`16533`	`◊`	A	-x+1,-y+1,z	`2_665`	`58`	`19`	`16533`	`523.9`	`-1.0`	`0.597`	`4`	`4`	`0`	`0.000`
`3`		A	`52`	`18`	`16533`	`◊`	A	-x+1,-y,z	`2_655`	`52`	`18`	`16533`	`429.0`	`-4.2`	`0.313`	`6`	`0`	`0`	`0.008`
`4`		[D7N]A:2012	`28`	`1`	`570`	`f`	A	x,y,z	`1_555`	`58`	`16`	`16533`	`379.1`	`1.6`	`0.391`	`7`	`0`	`0`	`0.037`
`5`		[SO4]A:2013	`5`	`1`	`186`	`f`	A	x,y,z	`1_555`	`16`	`7`	`16533`	`99.7`	`-15.9`	`0.691`	`5`	`0`	`0`	`0.450`
`6`		A	`12`	`4`	`16533`	`◊`	A	-x,-y,z	`2_555`	`12`	`4`	`16533`	`83.3`	`2.0`	`0.862`	`0`	`0`	`0`	`0.000`
`7`		[SO4]A:2014	`5`	`1`	`188`	`f`	A	x,y,z	`1_555`	`11`	`6`	`16533`	`83.0`	`-10.2`	`0.917`	`4`	`0`	`0`	`0.297`
`8`		A	`11`	`3`	`16533`	`x`	A	x-1,y,z	`1_455`	`5`	`1`	`16533`	`71.0`	`-0.1`	`0.596`	`0`	`0`	`0`	`0.000`
`9`		[SO4]A:2014	`4`	`1`	`188`	`◊`	A	-x+1,y,-z+1	`3_656`	`5`	`2`	`16533`	`41.7`	`-4.3`	`0.941`	`2`	`0`	`0`	`0.129`
`10`		A	`2`	`1`	`16533`	`x`	A	-x+1/2,y-1/2,-z+1/2	`7_545`	`3`	`2`	`16533`	`30.8`	`0.7`	`0.798`	`0`	`0`	`0`	`0.000`
`11`		A	`3`	`2`	`16533`	`x`	A	x-1/2,-y+1/2,-z+1/2	`8_455`	`3`	`2`	`16533`	`15.9`	`0.5`	`0.795`	`0`	`0`	`0`	`0.000`

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

Protein Data Bank
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