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Interfaces in PDB 4ehe crystal.
Space symmetry group: P 41 21 2. Resolution: 3.30 Å

B-RAF KINASE DOMAIN IN COMPLEX WITH AN AMINOTHIENOPYRIMIDINE-BASED INHIBITOR

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`		B	`112`	`30`	`13789`	`◊`	A	x,y,z	`1_555`	`115`	`29`	`13736`	`1112.3`	`-6.9`	`0.341`	`11`	`2`	`0`	`0.054`
2	`2`		B	`114`	`32`	`13789`	`◊`	B	y+1,x-1,-z	`7_645`	`112`	`32`	`13789`	`1001.0`	`-9.6`	`0.232`	`4`	`6`	`0`	`0.053`
3	`3`		B	`68`	`19`	`13789`	`◊`	A	-y+1/2,x-1/2,z+1/4	`3_545`	`67`	`19`	`13736`	`676.1`	`-0.9`	`0.634`	`12`	`4`	`0`	`0.000`
4	`4`		[RI8]B:801	`27`	`1`	`597`	`f`	B	x,y,z	`1_555`	`57`	`21`	`13789`	`419.0`	`-3.1`	`0.296`	`5`	`0`	`0`	`0.100`
	`5`		[RI8]A:801	`27`	`1`	`603`	`f`	A	x,y,z	`1_555`	`57`	`19`	`13736`	`407.7`	`-2.7`	`0.310`	`5`	`0`	`0`	`0.100`
	*Average:*													`413.3`	`-2.9`	`0.303`	`5`	`0`	`0`	`0.100`
5	`6`		A	`37`	`9`	`13736`	`◊`	B	x-1/2,-y-1/2,-z-1/4	`6_444`	`33`	`10`	`13789`	`311.1`	`-0.0`	`0.629`	`1`	`1`	`0`	`0.000`
6	`7`		A	`8`	`4`	`13736`	`◊`	B	-y-1/2,x-1/2,z+1/4	`3_445`	`10`	`4`	`13789`	`62.7`	`-0.4`	`0.488`	`0`	`0`	`0`	`0.000`
7	`8`		A	`4`	`1`	`13736`	`x`	A	x-1/2,-y-1/2,-z-1/4	`6_444`	`3`	`1`	`13736`	`23.4`	`0.7`	`0.832`	`0`	`0`	`0`	`0.000`

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

Protein Data Bank
in Europe