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Session Map (id=327-H5-1JC)

Interfaces in PDB 2f3f crystal.
Space symmetry group: P 1 21 1. Resolution: 2.30 Å

CRYSTAL STRUCTURE OF THE BACE COMPLEX WITH BDF488, A MACROCYCLIC INHIBITOR

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	`105`	`31`	`16427`	`◊`	A	x,y,z	`1_555`	`100`	`31`	`16421`	`970.4`	`-3.5`	`0.436`	`11`	`4`	`0`	`0.000`
2	`2`		[AXF]C:603	`32`	`1`	`738`	`f`	C	x,y,z	`1_555`	`77`	`30`	`16427`	`554.6`	`-7.2`	`0.565`	`10`	`0`	`0`	`0.100`
	`3`		[AXF]B:602	`32`	`1`	`738`	`f`	B	x,y,z	`1_555`	`74`	`30`	`16388`	`553.9`	`-7.5`	`0.550`	`10`	`0`	`0`	`0.100`
	`4`		[AXF]A:601	`32`	`1`	`734`	`f`	A	x,y,z	`1_555`	`77`	`31`	`16421`	`552.8`	`-7.4`	`0.546`	`11`	`0`	`0`	`0.100`
	*Average:*													`553.8`	`-7.4`	`0.554`	`10`	`0`	`0`	`0.100`
3	`5`		C	`45`	`16`	`16427`	`◊`	B	-x,y-1/2,-z	`2_545`	`60`	`18`	`16388`	`408.8`	`-2.9`	`0.263`	`5`	`2`	`0`	`0.000`
4	`6`		B	`44`	`15`	`16388`	`◊`	A	x,y,z	`1_555`	`60`	`17`	`16421`	`408.4`	`-2.8`	`0.320`	`5`	`2`	`0`	`0.000`
5	`7`		A	`45`	`13`	`16421`	`◊`	B	-x+1,y-1/2,-z	`2_645`	`44`	`13`	`16388`	`405.8`	`-7.0`	`0.052`	`0`	`0`	`0`	`0.000`
6	`8`		C	`36`	`11`	`16427`	`◊`	B	-x+1,y-1/2,-z	`2_645`	`41`	`11`	`16388`	`343.9`	`-2.9`	`0.288`	`2`	`5`	`0`	`0.000`
7	`9`		C	`46`	`11`	`16427`	`◊`	A	-x+1,y-1/2,-z+1	`2_646`	`36`	`12`	`16421`	`329.8`	`-3.1`	`0.195`	`4`	`2`	`0`	`0.000`
8	`10`		B	`19`	`6`	`16388`	`◊`	A	-x+1,y-1/2,-z	`2_645`	`20`	`7`	`16421`	`188.6`	`-0.3`	`0.523`	`1`	`0`	`0`	`0.000`
9	`11`		C	`13`	`6`	`16427`	`x`	C	-x,y-1/2,-z+1	`2_546`	`14`	`4`	`16427`	`121.7`	`-1.5`	`0.281`	`0`	`0`	`0`	`0.000`

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

Protein Data Bank
in Europe