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PDBePISA

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PISA Interface List.

Session Map (id=276-63-O2J)

Interfaces in PDB 3hqy crystal.
Space symmetry group: H 3. Resolution: 2.00 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	`64`	`18`	`14415`	`x`	A	-y,x-y,z	`2_555`	`56`	`18`	`14415`	`615.6`	`-8.2`	`0.095`	`4`	`0`	`0`	`0.094`
`2`		A	`54`	`17`	`14415`	`x`	A	-y+2/3,x-y+1/3,z+1/3	`5_555`	`46`	`21`	`14415`	`473.2`	`-3.8`	`0.344`	`3`	`2`	`0`	`0.000`
`3`		[PF6]A:999	`29`	`1`	`643`	`f`	A	x,y,z	`1_555`	`59`	`21`	`14415`	`449.3`	`-3.3`	`0.278`	`2`	`0`	`0`	`0.039`
`4`		[SO4]A:998	`5`	`1`	`185`	`f`	A	-y,x-y,z	`2_555`	`11`	`4`	`14415`	`69.8`	`-10.1`	`0.675`	`3`	`0`	`0`	`0.108`
`5`		[SO4]A:997	`5`	`1`	`184`	`◊`	A	-y,x-y,z	`2_555`	`11`	`4`	`14415`	`69.1`	`-9.5`	`0.598`	`1`	`0`	`0`	`0.094`
`6`		[SO4]A:998	`5`	`1`	`185`	`◊`	A	x,y,z	`1_555`	`7`	`3`	`14415`	`59.6`	`-5.9`	`0.975`	`3`	`0`	`0`	`0.068`
`7`		[MG]A:2	`1`	`1`	`98`	`f`	A	x,y,z	`1_555`	`15`	`8`	`14415`	`58.9`	`-8.7`	`0.000`	`0`	`0`	`0`	`0.082`
`8`		A	`7`	`1`	`14415`	`◊`	[PF6]A:999	-y+2/3,x-y+1/3,z+1/3	`5_555`	`5`	`1`	`643`	`50.7`	`0.2`	`0.591`	`0`	`0`	`0`	`0.000`
`9`		[ZN]A:1	`1`	`1`	`98`	`f`	A	x,y,z	`1_555`	`8`	`4`	`14415`	`44.5`	`-33.5`	`0.000`	`0`	`0`	`0`	`0.315`
`10`		[SO4]A:998	`4`	`1`	`185`	`◊`	[SO4]A:997	x,y,z	`1_555`	`4`	`1`	`184`	`41.4`	`-9.4`	`0.998`	`0`	`0`	`0`	`0.088`
`11`		[SO4]A:997	`4`	`1`	`184`	`f`	A	x,y,z	`1_555`	`4`	`2`	`14415`	`41.0`	`-3.5`	`0.975`	`3`	`0`	`0`	`0.046`
`12`		[MG]A:2	`1`	`1`	`98`	`f`	[ZN]A:1	x,y,z	`1_555`	`1`	`1`	`98`	`14.3`	`-7.0`	`0.000`	`0`	`0`	`0`	`0.066`

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