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Interfaces in PDB 5kr8 crystal.
Space symmetry group: P 61 2 2. Resolution: 2.12 Å

(4~{S},6~{S})-4-[2,4-BIS(FLUORANYL)PHENYL]-6-(3,5-DIMETHYL-1,2-OXAZOL- 4-YL)-4-METHYL-5,6-DIHYDRO-1,3-THIAZIN-2-AMINE (COMPOUND 5) BOUND TO BACE1

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	`115`	`34`	`14986`	`◊`	A	-y+1,-x+1,-z-1/6	`10_664`	`114`	`34`	`14986`	`1028.1`	`-4.7`	`0.789`	`5`	`0`	`0`	`0.000`
`2`		A	`57`	`18`	`14986`	`x`	A	x-y,x,z+1/6	`6_555`	`55`	`16`	`14986`	`499.0`	`-3.1`	`0.583`	`1`	`1`	`0`	`0.000`
`3`		[6WE]A:502	`21`	`1`	`502`	`f`	A	x,y,z	`1_555`	`42`	`16`	`14986`	`297.9`	`-0.1`	`0.416`	`7`	`0`	`0`	`0.090`
`4`		A	`17`	`6`	`14986`	`x`	A	x-y,-y+1,-z	`8_565`	`28`	`7`	`14986`	`232.7`	`-1.5`	`0.424`	`3`	`2`	`0`	`0.000`
`5`		A	`25`	`10`	`14986`	`◊`	A	x,x-y+1,-z+1/6	`12_565`	`25`	`10`	`14986`	`189.4`	`-2.1`	`0.501`	`0`	`0`	`0`	`0.000`
`6`		[IOD]A:501	`1`	`1`	`144`	`◊`	A	x,y,z	`1_555`	`16`	`9`	`14986`	`80.4`	`-0.2`	`0.762`	`0`	`0`	`0`	`0.000`
`7`		A	`3`	`1`	`14986`	`f`	[IOD]A:501	x-y,x,z+1/6	`6_555`	`1`	`1`	`144`	`27.3`	`-0.3`	`0.438`	`0`	`0`	`0`	`0.010`
`8`		[6WE]A:502	`3`	`1`	`502`	`◊`	A	-y+1,-x+1,-z-1/6	`10_664`	`2`	`1`	`14986`	`3.3`	`0.1`	`0.556`	`0`	`0`	`0`	`0.000`

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

Protein Data Bank
in Europe