PDBe < PISA < EMBL-EBI

PISA Interface List.

Interfaces in PDB 2gu8 crystal.
Space symmetry group: P 21 21 21. Resolution: 2.20 Å

DISCOVERY OF 2-PYRIMIDYL-5-AMIDOTHIOPHENES AS NOVEL AND POTENT INHIBITORS FOR AKT: SYNTHESIS AND SAR STUDIES

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`		C	`88`	`17`	`2412`	`◊`	A	x,y,z	`1_555`	`109`	`39`	`16020`	`990.8`	`-2.6`	`0.509`	`17`	`17`	`0`	`0.470`
`2`		[796]A:1001	`27`	`1`	`643`	`f`	A	x,y,z	`1_555`	`63`	`26`	`16020`	`448.4`	`-12.1`	`0.364`	`5`	`0`	`0`	`0.530`
`3`		A	`41`	`15`	`16020`	`◊`	C	-x-1/2,-y,z-1/2	`2_454`	`32`	`10`	`2412`	`386.3`	`0.6`	`0.563`	`6`	`4`	`0`	`0.000`
`4`		A	`16`	`6`	`16020`	`x`	A	x-1/2,-y-1/2,-z	`4_445`	`19`	`8`	`16020`	`161.1`	`0.5`	`0.486`	`0`	`0`	`0`	`0.000`
`5`		A	`15`	`4`	`16020`	`x`	A	-x-1/2,-y,z-1/2	`2_454`	`19`	`6`	`16020`	`153.4`	`0.3`	`0.620`	`2`	`4`	`0`	`0.000`
`6`		A	`11`	`4`	`16020`	`x`	A	x-1/2,-y+1/2,-z	`4_455`	`23`	`9`	`16020`	`115.5`	`-0.7`	`0.496`	`1`	`0`	`0`	`0.000`
`7`		A	`5`	`3`	`16020`	`x`	A	-x,y-1/2,-z-1/2	`3_544`	`11`	`5`	`16020`	`80.6`	`-0.9`	`0.187`	`0`	`0`	`0`	`0.000`
`8`		C	`10`	`5`	`2412`	`◊`	A	x-1/2,-y-1/2,-z	`4_445`	`8`	`3`	`16020`	`53.9`	`0.5`	`0.705`	`0`	`0`	`0`	`0.000`

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

Protein Data Bank
in Europe