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Interfaces in PDB 3dk7 crystal.
Space symmetry group: P 21 21 2. Resolution: 2.01 Å

CRYSTAL STRUCTURE OF MUTANT ABL KINASE DOMAIN IN COMPLEX WITH SMALL MOLECULE FRAGMENT

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`		A	`92`	`23`	`12736`	`◊`	B	x-1/2,-y+3/2,-z+3	`4_468`	`93`	`27`	`13157`	`856.3`	`-7.4`	`0.536`	`10`	`2`	`0`	`0.036`
2	`2`		B	`46`	`12`	`13157`	`◊`	A	x,y,z	`1_555`	`52`	`13`	`12736`	`465.7`	`-2.8`	`0.618`	`3`	`1`	`0`	`0.000`
3	`3`		B	`36`	`11`	`13157`	`◊`	A	-x-1,-y+1,z-1	`2_464`	`51`	`15`	`12736`	`427.9`	`-7.7`	`0.096`	`3`	`0`	`0`	`0.000`
4	`4`		[SX7]B:2	`27`	`1`	`618`	`f`	B	x,y,z	`1_555`	`59`	`23`	`13157`	`416.9`	`4.3`	`0.446`	`2`	`0`	`0`	`0.000`
	`5`		[SX7]A:1	`27`	`1`	`614`	`f`	A	x,y,z	`1_555`	`57`	`23`	`12736`	`402.6`	`4.8`	`0.398`	`2`	`0`	`0`	`0.000`
	*Average:*													`409.7`	`4.5`	`0.422`	`2`	`0`	`0`	`0.000`
5	`6`		A	`41`	`8`	`12736`	`◊`	A	-x-1,-y+1,z	`2_465`	`43`	`9`	`12736`	`372.6`	`-1.8`	`0.638`	`0`	`0`	`0`	`0.000`
6	`7`		A	`39`	`10`	`12736`	`x`	A	x,y,z-1	`1_554`	`39`	`9`	`12736`	`352.3`	`-3.7`	`0.368`	`3`	`1`	`0`	`0.000`
7	`8`		[SO4]B:3	`5`	`1`	`184`	`f`	B	x,y,z	`1_555`	`18`	`7`	`13157`	`105.1`	`-15.2`	`0.863`	`5`	`0`	`0`	`0.067`
8	`9`		[SO4]B:4	`5`	`1`	`184`	`f`	B	x,y,z	`1_555`	`8`	`4`	`13157`	`78.9`	`-10.2`	`0.881`	`4`	`0`	`0`	`0.046`
9	`10`		B	`8`	`3`	`13157`	`◊`	A	-x-1,-y+1,z	`2_465`	`8`	`4`	`12736`	`71.6`	`1.1`	`0.855`	`2`	`4`	`0`	`0.000`
10	`11`		B	`9`	`5`	`13157`	`◊`	A	x,y,z-1	`1_554`	`4`	`3`	`12736`	`48.8`	`-0.1`	`0.313`	`0`	`0`	`0`	`0.000`
11	`12`		[SO4]B:3	`1`	`1`	`184`	`◊`	A	-x-1,-y+1,z-1	`2_464`	`1`	`1`	`12736`	`0.6`	`-0.1`	`0.747`	`0`	`0`	`0`	`0.000`

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

Protein Data Bank
in Europe