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Interfaces in PDB 4d83 crystal.
Space symmetry group: P 1 21 1. Resolution: 2.40 Å

CRYSTAL STRUCTURE OF HUMAN BETA SECRETASE IN COMPLEX WITH NVP-BUR436, DERIVED FROM A CO-CRYSTALLIZATION EXPERIMENT

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	`109`	`31`	`16069`	`◊`	A	x,y,z	`1_555`	`107`	`32`	`16277`	`985.3`	`-3.0`	`0.496`	`12`	`5`	`0`	`0.000`
2	`2`		[0GT]B:501	`33`	`1`	`740`	`f`	B	x,y,z	`1_555`	`76`	`31`	`16118`	`528.1`	`-2.5`	`0.515`	`9`	`0`	`0`	`0.100`
	`3`		[0GT]A:401	`34`	`1`	`745`	`f`	A	x,y,z	`1_555`	`76`	`31`	`16277`	`525.2`	`-2.3`	`0.535`	`10`	`0`	`0`	`0.100`
	`4`		[0GT]C:501	`33`	`1`	`741`	`f`	C	x,y,z	`1_555`	`76`	`31`	`16069`	`523.9`	`-2.3`	`0.529`	`9`	`0`	`0`	`0.100`
	*Average:*													`525.7`	`-2.4`	`0.527`	`9`	`0`	`0`	`0.100`
3	`5`		B	`60`	`22`	`16118`	`◊`	A	x,y,z	`1_555`	`61`	`17`	`16277`	`511.0`	`-5.5`	`0.179`	`6`	`2`	`0`	`0.000`
4	`6`		A	`48`	`14`	`16277`	`◊`	B	-x+1,y-1/2,-z	`2_645`	`44`	`14`	`16118`	`411.3`	`-7.1`	`0.050`	`0`	`0`	`0`	`0.000`
5	`7`		C	`43`	`14`	`16069`	`◊`	B	-x,y-1/2,-z	`2_545`	`56`	`17`	`16118`	`403.2`	`-2.9`	`0.245`	`4`	`2`	`0`	`0.000`
6	`8`		C	`52`	`15`	`16069`	`◊`	A	-x+1,y-1/2,-z+1	`2_646`	`42`	`14`	`16277`	`371.3`	`-2.5`	`0.313`	`6`	`2`	`0`	`0.000`
7	`9`		C	`34`	`10`	`16069`	`◊`	B	-x+1,y-1/2,-z	`2_645`	`39`	`11`	`16118`	`341.2`	`-2.3`	`0.347`	`3`	`4`	`0`	`0.000`
8	`10`		B	`14`	`6`	`16118`	`◊`	A	-x+1,y-1/2,-z	`2_645`	`19`	`8`	`16277`	`154.2`	`-1.8`	`0.280`	`0`	`0`	`0`	`0.000`
9	`11`		C	`12`	`5`	`16069`	`x`	C	-x,y-1/2,-z+1	`2_546`	`9`	`3`	`16069`	`78.3`	`-1.0`	`0.348`	`1`	`0`	`0`	`0.000`

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

Protein Data Bank
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