PDBe < PISA < EMBL-EBI

PISA Interface List.

Session Map (id=248-03-473)

Interfaces in PDB 4v0i crystal.
Space symmetry group: P 1 21 1. Resolution: 2.54 Å

WATER NETWORK DETERMINES SELECTIVITY FOR A SERIES OF PYRIMIDONE INDOLINE AMIDE PI3KBETA INHIBITORS OVER PI3K-DELTA

Interfaces

##			Structure 1				×	Structure 2						interface area, Å²	ΔⁱG kcal/mol	ΔⁱG P-value	N_HB	N_SB	N_DS	CSS
Id	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	`1`		B	`82`	`26`	`35866`	`◊`	A	x,y,z	`1_555`	`84`	`27`	`35021`	`681.8`	`5.0`	`0.937`	`4`	`0`	`0`	`0.000`
2	`2`		A	`62`	`16`	`35021`	`◊`	B	-x,y-1/2,-z	`2_545`	`62`	`17`	`35866`	`586.6`	`-11.9`	`0.023`	`6`	`2`	`0`	`0.066`
3	`3`		A	`49`	`17`	`35021`	`x`	A	x-1,y,z	`1_455`	`40`	`10`	`35021`	`440.8`	`-2.2`	`0.433`	`11`	`0`	`0`	`0.000`
	`4`		B	`40`	`10`	`35866`	`x`	B	x-1,y,z	`1_455`	`51`	`17`	`35866`	`439.3`	`-2.1`	`0.416`	`11`	`0`	`0`	`0.000`
	*Average:*													`440.1`	`-2.2`	`0.425`	`11`	`0`	`0`	`0.000`
4	`5`		A	`48`	`22`	`35021`	`x`	A	x,y,z-1	`1_554`	`43`	`17`	`35021`	`381.9`	`-0.7`	`0.624`	`0`	`0`	`0`	`0.000`
	`6`		B	`51`	`26`	`35866`	`x`	B	x-1,y,z-1	`1_454`	`44`	`19`	`35866`	`376.2`	`1.9`	`0.812`	`3`	`6`	`0`	`0.000`
	*Average:*													`379.0`	`0.6`	`0.718`	`2`	`3`	`0`	`0.000`
5	`7`		[J82]B:1500	`26`	`1`	`553`	`f`	B	x,y,z	`1_555`	`56`	`20`	`35866`	`376.3`	`-2.8`	`0.232`	`3`	`0`	`0`	`0.100`
	`8`		[J82]A:1500	`26`	`1`	`554`	`f`	A	x,y,z	`1_555`	`56`	`20`	`35021`	`372.5`	`-2.6`	`0.252`	`2`	`0`	`0`	`0.100`
	*Average:*													`374.4`	`-2.7`	`0.242`	`3`	`0`	`0`	`0.100`
6	`9`		A	`44`	`11`	`35021`	`◊`	B	-x,y-1/2,-z+1	`2_546`	`40`	`13`	`35866`	`375.6`	`-5.2`	`0.191`	`0`	`0`	`0`	`0.000`
7	`10`		B	`9`	`3`	`35866`	`x`	B	x,y,z-1	`1_554`	`10`	`3`	`35866`	`83.4`	`-0.2`	`0.558`	`1`	`0`	`0`	`0.000`
	`11`		A	`7`	`3`	`35021`	`x`	A	x-1,y,z-1	`1_454`	`5`	`3`	`35021`	`59.1`	`-0.2`	`0.482`	`0`	`0`	`0`	`0.000`
	*Average:*													`71.3`	`-0.2`	`0.520`	`1`	`0`	`0`	`0.000`
8	`12`		A	`10`	`2`	`35021`	`◊`	B	-x+1,y-1/2,-z+1	`2_646`	`8`	`3`	`35866`	`70.5`	`1.9`	`0.890`	`1`	`1`	`0`	`0.000`
9	`13`		B	`7`	`2`	`35866`	`◊`	A	x-1,y,z	`1_455`	`7`	`2`	`35021`	`67.6`	`-0.6`	`0.449`	`0`	`0`	`0`	`0.000`

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

Protein Data Bank
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Bringing Structure to Biology

PDBePISA

Protein Data Bank in Europe

Bringing Structure to Biology

PDBePISA

Protein Data Bank
in Europe