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PDBePISA

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PISA Interface List.

Session Map (id=714-G8-B02)

Interfaces in PDB 3hr1 crystal.
Space symmetry group: H 3. Resolution: 1.53 Å

DISCOVERY OF NOVEL INHIBITORS OF PDE10A

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	`66`	`18`	`14329`	`x`	A	-y,x-y,z	`2_555`	`59`	`20`	`14329`	`621.6`	`-9.8`	`0.073`	`4`	`0`	`0`	`0.111`
`2`		[PF9]A:999	`30`	`1`	`651`	`◊`	A	x,y,z	`1_555`	`72`	`23`	`14329`	`470.2`	`4.4`	`0.288`	`2`	`0`	`0`	`0.000`
`3`		A	`51`	`16`	`14329`	`x`	A	-y+2/3,x-y+1/3,z+1/3	`5_555`	`51`	`21`	`14329`	`468.3`	`-4.8`	`0.268`	`2`	`1`	`0`	`0.000`
`4`		[SO4]A:997	`5`	`1`	`184`	`◊`	A	-y,x-y,z	`2_555`	`12`	`3`	`14329`	`73.5`	`-10.5`	`0.599`	`1`	`0`	`0`	`0.105`
`5`		[SO4]A:998	`5`	`1`	`185`	`f`	A	-y,x-y,z	`2_555`	`11`	`4`	`14329`	`68.8`	`-10.1`	`0.682`	`4`	`0`	`0`	`0.115`
`6`		[MG]A:2	`1`	`1`	`98`	`f`	A	x,y,z	`1_555`	`16`	`8`	`14329`	`58.5`	`-8.8`	`0.000`	`0`	`0`	`0`	`0.084`
`7`		[SO4]A:998	`5`	`1`	`185`	`◊`	A	x,y,z	`1_555`	`6`	`3`	`14329`	`56.4`	`-5.6`	`0.974`	`2`	`0`	`0`	`0.062`
`8`		A	`7`	`1`	`14329`	`f`	[PF9]A:999	-y+2/3,x-y+1/3,z+1/3	`5_555`	`5`	`1`	`651`	`54.9`	`0.3`	`0.363`	`0`	`0`	`0`	`0.000`
`9`		[ZN]A:1	`1`	`1`	`98`	`f`	A	x,y,z	`1_555`	`6`	`3`	`14329`	`44.1`	`-32.9`	`0.000`	`0`	`0`	`0`	`0.317`
`10`		[SO4]A:998	`4`	`1`	`185`	`◊`	[SO4]A:997	x,y,z	`1_555`	`4`	`1`	`184`	`42.7`	`-9.6`	`0.998`	`0`	`0`	`0`	`0.093`
`11`		[SO4]A:997	`4`	`1`	`184`	`f`	A	x,y,z	`1_555`	`4`	`2`	`14329`	`37.8`	`-3.3`	`0.975`	`2`	`0`	`0`	`0.040`
`12`		[MG]A:2	`1`	`1`	`98`	`f`	[ZN]A:1	x,y,z	`1_555`	`1`	`1`	`98`	`15.8`	`-7.8`	`0.000`	`0`	`0`	`0`	`0.075`

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