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PISA Interface List.

Session Map (id=316-CP-A8J)

Interfaces in PDB 5ho7 crystal.
Space symmetry group: P 32 2 1. Resolution: 3.00 Å

DISCOVERY OF NOVEL 7-AZAINDOLES AS PDK1 INHIBITORS

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	`112`	`33`	`14134`	`◊`	A	x-y,-y,-z+1/3	`5_555`	`112`	`33`	`14134`	`1063.5`	`-0.4`	`0.665`	`10`	`4`	`0`	`0.000`
`2`		A	`47`	`14`	`14134`	`x`	A	-y+1,x-y,z-1/3	`2_654`	`50`	`13`	`14134`	`515.3`	`-6.5`	`0.133`	`6`	`2`	`0`	`0.000`
`3`		A	`31`	`11`	`14134`	`x`	A	x,y,z-1	`1_554`	`33`	`10`	`14134`	`289.8`	`-3.2`	`0.248`	`1`	`1`	`0`	`0.000`
`4`		[63L]A:701	`14`	`1`	`363`	`f`	A	x,y,z	`1_555`	`30`	`16`	`14134`	`249.9`	`-0.3`	`0.452`	`3`	`0`	`0`	`0.008`
`5`		[SO4]A:702	`5`	`1`	`185`	`f`	A	x,y,z	`1_555`	`15`	`6`	`14134`	`106.8`	`-15.7`	`0.799`	`5`	`0`	`0`	`0.092`
`6`		A	`10`	`3`	`14134`	`◊`	A	y,x,-z+1	`4_556`	`10`	`3`	`14134`	`98.6`	`-2.9`	`0.085`	`0`	`0`	`0`	`0.000`
`7`		A	`3`	`2`	`14134`	`x`	A	-x+1,-x+y,-z+2/3	`6_655`	`2`	`1`	`14134`	`21.4`	`0.5`	`0.524`	`0`	`0`	`0`	`0.000`
`8`		[SO4]A:702	`3`	`1`	`185`	`◊`	A	-y+1,x-y,z-1/3	`2_654`	`1`	`1`	`14134`	`16.9`	`-2.3`	`0.361`	`0`	`0`	`0`	`0.000`
`9`		A	`2`	`1`	`14134`	`◊`	A	x-y,-y,-z-2/3	`5_554`	`2`	`1`	`14134`	`14.4`	`0.5`	`0.829`	`0`	`0`	`0`	`0.000`

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