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Interfaces in PDB 7ayh crystal.
Space symmetry group: P 61 2 2. Resolution: 2.80 Å

CRYSTAL STRUCTURE OF AURORA A IN COMPLEX WITH 7-(2-ANILINOPYRIMIDIN-4- YL)-1-BENZAZEPIN-2-ONE DERIVATIVE (COMPOUND 2C)

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	`62`	`15`	`13110`	`x`	A	x-y-1,-y-1,-z	`8_445`	`64`	`17`	`13110`	`541.9`	`-0.1`	`0.660`	`7`	`2`	`0`	`0.000`
`2`		[S9H]A:501	`27`	`1`	`569`	`◊`	A	x,y,z	`1_555`	`49`	`21`	`13110`	`398.5`	`2.0`	`0.437`	`1`	`1`	`0`	`0.000`
`3`		A	`33`	`10`	`13110`	`x`	A	x-y,x,z+1/6	`6_555`	`34`	`10`	`13110`	`284.7`	`-2.3`	`0.444`	`4`	`0`	`0`	`0.000`
`4`		A	`27`	`10`	`13110`	`◊`	A	-y-1,-x-1,-z-1/6	`10_444`	`28`	`10`	`13110`	`248.7`	`2.4`	`0.851`	`2`	`0`	`0`	`0.000`
`5`		A	`12`	`4`	`13110`	`◊`	A	y,x,-z+1/3	`7_555`	`11`	`4`	`13110`	`93.0`	`1.5`	`0.825`	`0`	`0`	`0`	`0.000`
`6`		A	`5`	`2`	`13110`	`◊`	A	x,x-y,-z+1/6	`12_555`	`5`	`2`	`13110`	`81.8`	`-3.7`	`0.010`	`0`	`0`	`0`	`0.000`
`7`		A	`1`	`1`	`13110`	`f`	[S9H]A:501	x-y-1,-y-1,-z	`8_445`	`1`	`1`	`569`	`3.3`	`0.1`	`0.586`	`0`	`0`	`0`	`0.000`

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

Protein Data Bank
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