PDBe < PISA < EMBL-EBI

PISA Interface List.

Interfaces in PDB 4k8s crystal.
Space symmetry group: P 1 21 1. Resolution: 2.39 Å

HYDROXYETHYLAMINE-BASED INHIBITORS OF BACE1: P1-P3 MACROCYCLIZATION CAN IMPROVE POTENCY, SELECTIVITY, AND CELL ACTIVITY

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`		C	`108`	`33`	`15960`	`◊`	B	x,y,z	`1_555`	`113`	`34`	`16059`	`1061.6`	`-4.3`	`0.468`	`10`	`5`	`0`	`0.000`
2	`2`		[1QT]A:401	`36`	`1`	`747`	`f`	A	x,y,z	`1_555`	`78`	`31`	`15667`	`569.0`	`4.3`	`0.491`	`6`	`0`	`0`	`0.100`
	`3`		[1QT]C:401	`36`	`1`	`748`	`f`	C	x,y,z	`1_555`	`76`	`31`	`15960`	`567.5`	`3.5`	`0.438`	`6`	`0`	`0`	`0.100`
	`4`		[1QT]B:401	`37`	`1`	`739`	`f`	B	x,y,z	`1_555`	`77`	`31`	`16059`	`551.5`	`3.1`	`0.405`	`7`	`0`	`0`	`0.100`
	*Average:*													`562.7`	`3.6`	`0.445`	`6`	`0`	`0`	`0.100`
3	`5`		A	`56`	`20`	`15667`	`◊`	B	-x+1,y-1/2,-z	`2_645`	`62`	`16`	`16059`	`504.3`	`-5.5`	`0.179`	`4`	`1`	`0`	`0.000`
4	`6`		C	`53`	`15`	`15960`	`◊`	B	-x+1,y-1/2,-z+1	`2_646`	`48`	`17`	`16059`	`456.9`	`-4.1`	`0.227`	`5`	`1`	`0`	`0.000`
5	`7`		B	`47`	`14`	`16059`	`◊`	A	x,y,z	`1_555`	`44`	`14`	`15667`	`437.4`	`-7.2`	`0.062`	`2`	`0`	`0`	`0.000`
6	`8`		C	`47`	`15`	`15960`	`◊`	A	x-1,y,z	`1_455`	`57`	`16`	`15667`	`424.1`	`-3.4`	`0.253`	`1`	`0`	`0`	`0.000`
7	`9`		C	`40`	`11`	`15960`	`◊`	A	x,y,z	`1_555`	`47`	`14`	`15667`	`384.5`	`-1.4`	`0.520`	`2`	`5`	`0`	`0.000`
8	`10`		A	`8`	`3`	`15667`	`◊`	B	x,y-1,z	`1_545`	`8`	`4`	`16059`	`72.0`	`0.7`	`0.713`	`2`	`0`	`0`	`0.000`

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

Protein Data Bank
in Europe