PDBe < PISA < EMBL-EBI

PISA Interface List.

Session Map (id=734-53-624)

Interfaces in PDB 3vap crystal.
Space symmetry group: P 61 2 2. Resolution: 2.66 Å

SYNTHESIS AND SAR STUDIES OF IMIDAZO-[1,2-A]-PYRAZINE AURORA KINASE INHIBITORS WITH IMPROVED OFF TARGET KINASE SELECTIVITY

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`		[0FY]A:1	`38`	`1`	`829`	`f`	A	x,y,z	`1_555`	`73`	`29`	`12614`	`553.6`	`-3.1`	`0.432`	`4`	`0`	`0`	`0.100`
`2`		A	`59`	`17`	`12614`	`x`	A	x-y,-y+1,-z	`8_565`	`56`	`15`	`12614`	`509.5`	`-1.3`	`0.469`	`3`	`2`	`0`	`0.000`
`3`		A	`38`	`8`	`12614`	`x`	A	x-y,x,z+1/6	`6_555`	`52`	`14`	`12614`	`387.2`	`-0.7`	`0.537`	`3`	`1`	`0`	`0.000`
`4`		A	`35`	`8`	`12614`	`◊`	A	y,x,-z+1/3	`7_555`	`35`	`8`	`12614`	`335.7`	`-2.5`	`0.340`	`0`	`0`	`0`	`0.000`
`5`		A	`32`	`8`	`12614`	`◊`	A	x,x-y,-z+1/6	`12_555`	`32`	`8`	`12614`	`290.7`	`-3.0`	`0.280`	`0`	`2`	`0`	`0.000`
`6`		A	`31`	`9`	`12614`	`◊`	A	-y+1,-x+1,-z-1/6	`10_664`	`31`	`9`	`12614`	`261.3`	`2.4`	`0.793`	`0`	`0`	`0`	`0.000`
`7`		[0FY]A:1	`6`	`1`	`829`	`◊`	A	x-y,-y+1,-z	`8_565`	`13`	`4`	`12614`	`81.7`	`0.1`	`0.540`	`0`	`0`	`0`	`0.000`

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

Protein Data Bank
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