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Interfaces in PDB 4fc0 crystal.
Space symmetry group: P 41 21 2. Resolution: 2.95 Å

CRYSTAL STRUCTURE OF HUMAN KINASE DOMAIN OF B-RAF WITH A DFG-OUT 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	`119`	`30`	`13250`	`◊`	A	x,y,z	`1_555`	`123`	`32`	`13285`	`1168.7`	`-3.9`	`0.612`	`17`	`7`	`0`	`0.041`
2	`2`		B	`69`	`18`	`13250`	`◊`	A	-y-1/2,x-1/2,z+1/4	`2_445`	`70`	`19`	`13285`	`686.4`	`-3.0`	`0.550`	`14`	`2`	`0`	`0.000`
3	`3`		[0T2]A:901	`39`	`1`	`844`	`f`	A	x,y,z	`1_555`	`81`	`27`	`13285`	`592.3`	`-7.3`	`0.244`	`4`	`0`	`0`	`0.100`
	`4`		[0T2]B:901	`39`	`1`	`841`	`f`	B	x,y,z	`1_555`	`81`	`30`	`13250`	`582.8`	`-7.2`	`0.276`	`4`	`0`	`0`	`0.100`
	*Average:*													`587.6`	`-7.3`	`0.260`	`4`	`0`	`0`	`0.100`
4	`5`		A	`37`	`14`	`13285`	`◊`	A	y+1,x-1,-z	`6_645`	`37`	`14`	`13285`	`344.3`	`3.9`	`0.932`	`0`	`0`	`0`	`0.000`
5	`6`		A	`25`	`8`	`13285`	`◊`	B	-x+1/2,y-1/2,-z+1/4	`7_545`	`29`	`8`	`13250`	`260.8`	`0.9`	`0.765`	`3`	`3`	`0`	`0.000`
6	`7`		A	`21`	`7`	`13285`	`◊`	B	-y+1/2,x-1/2,z+1/4	`2_545`	`19`	`5`	`13250`	`205.8`	`-0.1`	`0.638`	`3`	`0`	`0`	`0.000`
7	`8`		B	`7`	`4`	`13250`	`◊`	B	-y,-x,-z+1/2	`8_555`	`7`	`4`	`13250`	`23.3`	`0.0`	`0.648`	`0`	`0`	`0`	`0.000`

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

Protein Data Bank
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