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PISA Interface List.

Session Map (id=612-89-LFN)

Interfaces in PDB 5mrd crystal.
Space symmetry group: C 1 2 1. Resolution: 1.41 Å

HUMAN PDK1-PKCIOTA KINASE CHIMERA IN COMPLEX WITH ALLOSTERIC COMPOUND PS267 BOUND TO THE PIF-POCKET

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	`72`	`24`	`13408`	`x`	A	-x-1/2,y-1/2,-z	`4_445`	`65`	`19`	`13408`	`591.5`	`-6.2`	`0.274`	`2`	`0`	`0`	`0.000`
`2`		A	`63`	`20`	`13408`	`◊`	A	-x,y,-z	`2_555`	`62`	`20`	`13408`	`569.9`	`4.7`	`0.929`	`4`	`4`	`0`	`0.000`
`3`		A	`38`	`15`	`13408`	`x`	A	x,y,z-1	`1_554`	`39`	`12`	`13408`	`382.8`	`-4.5`	`0.202`	`2`	`1`	`0`	`0.000`
`4`		[ATP]A:405	`30`	`1`	`613`	`f`	A	x,y,z	`1_555`	`55`	`25`	`13408`	`382.2`	`-2.1`	`0.573`	`2`	`0`	`0`	`0.020`
`5`		[S26]A:401	`20`	`1`	`521`	`f`	A	x,y,z	`1_555`	`42`	`13`	`13408`	`303.2`	`-10.4`	`0.391`	`1`	`0`	`0`	`0.075`
`6`		A	`31`	`11`	`13408`	`x`	A	x,y-1,z	`1_545`	`29`	`12`	`13408`	`232.2`	`1.1`	`0.772`	`3`	`4`	`0`	`0.000`
`7`		[DTT]A:402	`7`	`1`	`300`	`◊`	A	x,y,z	`1_555`	`22`	`8`	`13408`	`134.9`	`-1.3`	`0.591`	`0`	`0`	`0`	`0.000`
`8`		[DMS]A:403	`4`	`1`	`209`	`◊`	A	-x,y,-z	`2_555`	`18`	`9`	`13408`	`109.7`	`3.0`	`0.585`	`1`	`0`	`0`	`0.000`
`9`		A	`14`	`6`	`13408`	`f`	[DTT]A:402	-x-1/2,y-1/2,-z	`4_445`	`6`	`1`	`300`	`100.5`	`-2.4`	`0.474`	`1`	`0`	`0`	`0.020`
`10`		[DMS]A:404	`4`	`1`	`209`	`◊`	A	x,y,z	`1_555`	`18`	`5`	`13408`	`96.7`	`0.9`	`0.346`	`0`	`0`	`0`	`0.000`
`11`		[DMS]A:403	`3`	`1`	`209`	`f`	A	x,y,z	`1_555`	`9`	`4`	`13408`	`52.1`	`1.6`	`0.504`	`0`	`0`	`0`	`0.000`
`12`		[DMS]A:404	`1`	`1`	`209`	`f`	A	x,y,z-1	`1_554`	`5`	`3`	`13408`	`16.5`	`0.6`	`0.571`	`0`	`0`	`0`	`0.000`

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