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PDBePISA

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PISA Interface List.

Session Map (id=956-HI-N9D)

Interfaces in PDB 3hqw crystal.
Space symmetry group: H 3. Resolution: 1.70 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	`62`	`18`	`14243`	`x`	A	-y,x-y,z	`2_555`	`60`	`19`	`14243`	`643.3`	`-8.0`	`0.124`	`4`	`0`	`0`	`0.148`
`2`		A	`53`	`18`	`14243`	`x`	A	-y+2/3,x-y+1/3,z+1/3	`5_555`	`46`	`22`	`14243`	`462.3`	`-4.5`	`0.277`	`2`	`2`	`0`	`0.000`
`3`		[PF4]A:999	`26`	`1`	`594`	`f`	A	x,y,z	`1_555`	`58`	`21`	`14243`	`397.5`	`-7.3`	`0.292`	`1`	`0`	`0`	`0.117`
`4`		A	`10`	`2`	`14243`	`◊`	[PF4]A:999	-y+2/3,x-y+1/3,z+1/3	`5_555`	`6`	`1`	`594`	`73.4`	`-0.5`	`0.646`	`0`	`0`	`0`	`0.000`
`5`		[MG]A:2	`1`	`1`	`98`	`f`	A	x,y,z	`1_555`	`15`	`7`	`14243`	`60.6`	`-8.0`	`0.000`	`0`	`0`	`0`	`0.121`
`6`		[ZN]A:1	`1`	`1`	`98`	`f`	A	x,y,z	`1_555`	`6`	`3`	`14243`	`44.1`	`-33.8`	`0.000`	`0`	`0`	`0`	`0.513`
`7`		[MG]A:2	`1`	`1`	`98`	`f`	[ZN]A:1	x,y,z	`1_555`	`1`	`1`	`98`	`13.6`	`-6.7`	`0.000`	`0`	`0`	`0`	`0.101`

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