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PISA Interface List.

Session Map (id=333-IN-3LM)

Interfaces in PDB 4pp7 crystal.
Space symmetry group: P 41 21 2. Resolution: 3.40 Å

HIGHLY POTENT AND SELECTIVE 3-N-METHYLQUINAZOLINE-4(3H)-ONE BASED INHIBITORS OF B-RAFV600E KINASE

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	`106`	`29`	`13631`	`◊`	A	x,y,z	`1_555`	`113`	`31`	`13700`	`1070.6`	`-5.7`	`0.362`	`11`	`3`	`0`	`0.000`
2	`2`		B	`104`	`30`	`13631`	`◊`	B	y+1,x-1,-z	`6_645`	`103`	`30`	`13631`	`926.0`	`-13.0`	`0.068`	`5`	`2`	`0`	`0.515`
3	`3`		B	`68`	`19`	`13631`	`◊`	A	-y+1/2,x-1/2,z+1/4	`2_545`	`71`	`19`	`13700`	`693.1`	`-1.6`	`0.553`	`10`	`1`	`0`	`0.000`
4	`4`		[2VX]B:801	`28`	`1`	`620`	`f`	B	x,y,z	`1_555`	`58`	`23`	`13631`	`440.5`	`-5.1`	`0.338`	`5`	`0`	`0`	`0.485`
	`5`		[2VX]A:801	`28`	`1`	`620`	`f`	A	x,y,z	`1_555`	`59`	`21`	`13700`	`432.0`	`-5.5`	`0.313`	`4`	`0`	`0`	`0.485`
	*Average:*													`436.2`	`-5.3`	`0.325`	`5`	`0`	`0`	`0.485`
5	`6`		A	`35`	`9`	`13700`	`◊`	B	x-1/2,-y-1/2,-z-1/4	`5_444`	`32`	`11`	`13631`	`300.5`	`-0.6`	`0.521`	`1`	`0`	`0`	`0.000`
6	`7`		A	`6`	`2`	`13700`	`◊`	A	-y,-x,-z-1/2	`8_554`	`6`	`2`	`13700`	`53.7`	`1.4`	`0.858`	`0`	`0`	`0`	`0.000`
7	`8`		A	`9`	`4`	`13700`	`◊`	B	-y-1/2,x-1/2,z+1/4	`2_445`	`8`	`4`	`13631`	`41.9`	`-0.1`	`0.582`	`0`	`0`	`0`	`0.000`

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

Protein Data Bank
in Europe