Protein Data Bank
in Europe

Bringing Structure to Biology

PDBePISA

pdbe.org/pisa

wwPDB

EMDataBank

PISA Interface List.

Session Map (id=839-E6-NHE)

Interfaces in PDB 4x2g crystal.
Space symmetry group: P 21 21 21. Resolution: 1.51 Å

SELECTION OF FRAGMENTS FOR KINASE INHIBITOR DESIGN: DECORATION IS KEY

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`		A	`83`	`27`	`14704`	`x`	A	x-1/2,-y+3/2,-z	`4_465`	`86`	`23`	`14704`	`776.8`	`-5.8`	`0.228`	`12`	`1`	`0`	`0.000`
`2`		A	`37`	`11`	`14704`	`x`	A	-x+1,y-1/2,-z+1/2	`3_645`	`48`	`13`	`14704`	`380.6`	`-0.5`	`0.531`	`4`	`2`	`0`	`0.000`
`3`		A	`29`	`9`	`14704`	`x`	A	x-1,y,z	`1_455`	`35`	`11`	`14704`	`287.1`	`-2.3`	`0.263`	`1`	`0`	`0`	`0.000`
`4`		A	`31`	`10`	`14704`	`x`	A	-x+1/2,-y+2,z-1/2	`2_574`	`34`	`11`	`14704`	`285.6`	`1.5`	`0.609`	`4`	`4`	`0`	`0.000`
`5`		[3WK]A:601	`17`	`1`	`425`	`◊`	A	x,y,z	`1_555`	`36`	`17`	`14704`	`262.1`	`2.0`	`0.376`	`2`	`0`	`0`	`0.000`
`6`		A	`10`	`3`	`14704`	`x`	A	x-1/2,-y+5/2,-z	`4_475`	`19`	`8`	`14704`	`139.0`	`-0.6`	`0.461`	`2`	`0`	`0`	`0.000`
`7`		[TRS]A:603	`7`	`1`	`256`	`f`	A	x,y,z	`1_555`	`21`	`9`	`14704`	`138.0`	`3.1`	`0.176`	`4`	`0`	`0`	`0.000`
`8`		[SO4]A:602	`5`	`1`	`183`	`f`	A	x,y,z	`1_555`	`17`	`8`	`14704`	`112.2`	`-16.1`	`0.795`	`4`	`0`	`0`	`0.106`
`9`		[TRS]A:603	`6`	`1`	`256`	`◊`	[3WK]A:601	x,y,z	`1_555`	`13`	`1`	`425`	`69.6`	`2.1`	`0.322`	`1`	`0`	`0`	`0.000`
`10`		A	`7`	`3`	`14704`	`f`	[3WK]A:601	x-1,y,z	`1_455`	`3`	`1`	`425`	`30.5`	`-0.2`	`0.388`	`0`	`0`	`0`	`0.001`
`11`		A	`3`	`1`	`14704`	`◊`	[SO4]A:602	x-1,y,z	`1_455`	`4`	`1`	`183`	`21.9`	`-2.3`	`0.838`	`0`	`0`	`0`	`0.000`
`12`		A	`1`	`1`	`14704`	`x`	A	-x,y-1/2,-z+1/2	`3_545`	`2`	`1`	`14704`	`1.9`	`-0.1`	`0.509`	`0`	`0`	`0`	`0.000`

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