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Interfaces in PDB 4j1e crystal.
Space symmetry group: P 61 2 2. Resolution: 1.78 Å

CRYSTAL STRUCTURE OF BACE-1 IN COMPLEX WITH 5-CYANO-PYRIDINE-2- CARBOXYLIC ACID [3-((4S,6S)-2-AMINO-4-FLUOROMETHYL-6-TRIFLUOROMETHYL- 5,6-DIHYDRO-4H-[1,3]OXAZIN-4-YL)-4-FLUORO-PHENYL]-AMIDE

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	`179`	`49`	`16197`	`◊`	A	-y-1,-x-1,-z-1/6	`10_444`	`179`	`49`	`16197`	`1563.1`	`-3.0`	`0.678`	`16`	`4`	`0`	`0.000`
`2`		A	`69`	`18`	`16197`	`x`	A	x-y,x,z+1/6	`6_555`	`61`	`17`	`16197`	`606.9`	`-1.5`	`0.563`	`4`	`1`	`0`	`0.000`
`3`		A	`39`	`17`	`16197`	`◊`	A	x,x-y-1,-z+1/6	`12_545`	`39`	`17`	`16197`	`406.2`	`-4.2`	`0.214`	`2`	`0`	`0`	`0.000`
`4`		[1HM]A:504	`30`	`1`	`638`	`◊`	A	x,y,z	`1_555`	`60`	`24`	`16197`	`401.4`	`6.0`	`0.333`	`4`	`0`	`0`	`0.000`
`5`		A	`26`	`7`	`16197`	`x`	A	x-y-1,-y-1,-z	`8_445`	`17`	`6`	`16197`	`231.0`	`-1.6`	`0.298`	`3`	`2`	`0`	`0.000`
`6`		[DMS]A:503	`4`	`1`	`206`	`f`	A	x,y,z	`1_555`	`19`	`8`	`16197`	`104.5`	`1.4`	`0.379`	`2`	`0`	`0`	`0.000`
`7`		[NA]A:501	`1`	`1`	`125`	`f`	A	x,y,z	`1_555`	`10`	`5`	`16197`	`60.3`	`-8.8`	`0.000`	`0`	`0`	`0`	`0.056`
`8`		[NA]A:502	`1`	`1`	`125`	`f`	A	x,y,z	`1_555`	`9`	`5`	`16197`	`60.1`	`-8.5`	`0.000`	`0`	`0`	`0`	`0.054`
`9`		[1HM]A:504	`3`	`1`	`638`	`f`	A	-y-1,-x-1,-z-1/6	`10_444`	`1`	`1`	`16197`	`20.3`	`1.0`	`0.438`	`0`	`0`	`0`	`0.000`
`10`		[NA]A:502	`1`	`1`	`125`	`◊`	A	x-y,x,z+1/6	`6_555`	`1`	`1`	`16197`	`4.4`	`-0.3`	`0.000`	`0`	`0`	`0`	`0.000`

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

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PDBePISA

Protein Data Bank in Europe

Bringing Structure to Biology

PDBePISA

Protein Data Bank
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