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Session Map (id=315-HJ-D56)

Interfaces in PDB 6pyu crystal.
Space symmetry group: P 21 21 21. Resolution: 2.54 Å

HUMAN PI3KDELTA IN COMPLEX WITH COMPOUND 4-2 ((3S)-1'- (CYCLOPROPANECARBONYL)-5-(QUINOXALIN-6-YL)SPIRO[INDOLE-3,2'- PYRROLIDIN]-2(1H)-ONE)

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`		B	`239`	`55`	`12642`	`◊`	A	x,y,z	`1_555`	`228`	`65`	`43556`	`2161.5`	`-13.7`	`0.150`	`28`	`9`	`0`	`1.000`
`2`		A	`98`	`30`	`43556`	`x`	A	x-1/2,-y+1/2,-z	`4_455`	`95`	`27`	`43556`	`890.9`	`-4.7`	`0.429`	`8`	`3`	`0`	`0.000`
`3`		B	`92`	`27`	`12642`	`◊`	A	-x+1/2,-y,z-1/2	`2_554`	`94`	`27`	`43556`	`782.8`	`2.8`	`0.762`	`11`	`7`	`0`	`0.000`
`4`		A	`55`	`19`	`43556`	`◊`	B	-x+1/2,-y,z-1/2	`2_554`	`50`	`12`	`12642`	`498.5`	`-0.3`	`0.574`	`7`	`1`	`0`	`0.000`
`5`		A	`42`	`20`	`43556`	`x`	A	-x+1/2,-y,z-1/2	`2_554`	`44`	`12`	`43556`	`396.3`	`-2.9`	`0.330`	`5`	`4`	`0`	`0.000`
`6`		B	`36`	`8`	`12642`	`◊`	A	-x,y-1/2,-z+1/2	`3_545`	`45`	`22`	`43556`	`350.2`	`0.7`	`0.603`	`3`	`1`	`0`	`0.000`
`7`		B	`38`	`8`	`12642`	`x`	B	-x+1/2,-y,z-1/2	`2_554`	`33`	`10`	`12642`	`333.5`	`-3.7`	`0.144`	`3`	`0`	`0`	`0.000`
`8`		A	`29`	`8`	`43556`	`x`	A	-x,y-1/2,-z+1/2	`3_545`	`26`	`8`	`43556`	`231.2`	`0.3`	`0.650`	`1`	`0`	`0`	`0.000`
`9`		A	`21`	`8`	`43556`	`◊`	B	x-1/2,-y+1/2,-z	`4_455`	`20`	`7`	`12642`	`182.0`	`-1.0`	`0.457`	`3`	`0`	`0`	`0.000`

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

Protein Data Bank
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