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PISA Interface List.

Session Map (id=721-96-MA3)

Interfaces in PDB 3ivh crystal.
Space symmetry group: C 1 2 1. Resolution: 1.80 Å

DESIGN AND SYNTHESIS OF POTENT BACE-1 INHIBITORS WITH CELLULAR ACTIVITY: STRUCTURE-ACTIVITY RELATIONSHIP OF P1 SUBSTITUENTS

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	`89`	`31`	`16656`	`◊`	A	-x,y,-z	`2_555`	`89`	`31`	`16656`	`871.8`	`-1.2`	`0.629`	`8`	`4`	`0`	`0.000`
`2`		[1LI]A:1	`31`	`1`	`715`	`f`	A	x,y,z	`1_555`	`72`	`29`	`16656`	`502.3`	`1.2`	`0.450`	`6`	`0`	`0`	`0.100`
`3`		A	`50`	`14`	`16656`	`◊`	A	-x+1,y,-z+1	`2_656`	`49`	`14`	`16656`	`488.2`	`2.4`	`0.838`	`10`	`6`	`0`	`0.000`
`4`		A	`34`	`13`	`16656`	`◊`	A	-x+1,y,-z	`2_655`	`35`	`13`	`16656`	`300.9`	`-1.6`	`0.470`	`2`	`0`	`0`	`0.000`
`5`		A	`32`	`12`	`16656`	`x`	A	-x+1/2,y-1/2,-z	`4_545`	`22`	`9`	`16656`	`240.6`	`-2.9`	`0.254`	`0`	`0`	`0`	`0.000`
`6`		A	`26`	`11`	`16656`	`◊`	A	-x,y,-z+1	`2_556`	`26`	`11`	`16656`	`177.9`	`-3.0`	`0.237`	`4`	`0`	`0`	`0.000`
`7`		A	`11`	`2`	`16656`	`x`	A	x-1/2,y-1/2,z	`3_445`	`10`	`3`	`16656`	`103.1`	`-2.1`	`0.163`	`0`	`0`	`0`	`0.000`
`8`		A	`3`	`2`	`16656`	`x`	A	-x+1/2,y-1/2,-z+1	`4_546`	`3`	`2`	`16656`	`22.4`	`1.0`	`0.887`	`1`	`1`	`0`	`0.000`
`9`		A	`3`	`1`	`16656`	`x`	A	x-1/2,y+1/2,z	`3_455`	`2`	`1`	`16656`	`19.4`	`-0.0`	`0.412`	`0`	`0`	`0`	`0.000`

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

Protein Data Bank
in Europe