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Session Map (id=856-DO-JD5)

Interfaces in PDB 3dpd crystal.
Space symmetry group: C 1 2 1. Resolution: 2.85 Å

ACHIEVING MULTI-ISOFORM PI3K INHIBITION IN A SERIES OF SUBSTITUTED 3,4-DIHYDRO-2H-BENZO[1,4]OXAZINES

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	`48`	`12`	`36788`	`◊`	A	-x+1,y,-z+1	`2_656`	`48`	`12`	`36788`	`465.5`	`-4.7`	`0.229`	`4`	`0`	`0`	`0.000`
`2`		A	`42`	`17`	`36788`	`x`	A	-x+1/2,y-1/2,-z+1	`4_546`	`33`	`12`	`36788`	`355.3`	`4.1`	`0.925`	`3`	`1`	`0`	`0.000`
`3`		A	`41`	`12`	`36788`	`x`	A	x,y-1,z	`1_545`	`36`	`12`	`36788`	`354.5`	`-7.0`	`0.051`	`1`	`1`	`0`	`0.000`
`4`		A	`43`	`15`	`36788`	`x`	A	-x+1/2,y-1/2,-z	`4_545`	`37`	`12`	`36788`	`343.9`	`-3.6`	`0.252`	`0`	`0`	`0`	`0.000`
`5`		[41A]A:2040	`17`	`1`	`437`	`f`	A	x,y,z	`1_555`	`48`	`21`	`36788`	`308.0`	`-8.5`	`0.292`	`2`	`0`	`0`	`0.100`
`6`		A	`31`	`10`	`36788`	`◊`	A	-x+1,y,-z	`2_655`	`31`	`10`	`36788`	`295.2`	`-3.5`	`0.231`	`2`	`2`	`0`	`0.000`
`7`		A	`32`	`13`	`36788`	`x`	A	x-1/2,y+1/2,z	`3_455`	`35`	`14`	`36788`	`233.9`	`1.6`	`0.766`	`2`	`0`	`0`	`0.000`

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

Protein Data Bank
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