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Session Map (id=863-60-L15)

Interfaces in PDB 6g9m crystal.
Space symmetry group: P 1 21 1. Resolution: 1.86 Å

FRAGMENT-BASED DISCOVERY OF A HIGHLY POTENT, ORALLY BIOAVAILABLE INHIBITOR WHICH MODULATES THE PHOSPHORYLATION AND CATALYTIC ACTIVITY OF ERK1/2

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`		[ESW]A:404	`36`	`1`	`743`	`f`	A	x,y,z	`1_555`	`73`	`29`	`16451`	`524.9`	`-9.9`	`0.343`	`3`	`0`	`0`	`0.024`
`2`		A	`55`	`16`	`16451`	`x`	A	x-1,y,z-1	`1_454`	`56`	`16`	`16451`	`518.9`	`-3.3`	`0.296`	`4`	`0`	`0`	`0.000`
`3`		A	`49`	`16`	`16451`	`x`	A	x-1,y,z	`1_455`	`52`	`16`	`16451`	`496.7`	`-3.8`	`0.351`	`6`	`0`	`0`	`0.000`
`4`		A	`49`	`13`	`16451`	`x`	A	-x,y-1/2,-z+1	`2_546`	`48`	`15`	`16451`	`442.9`	`-4.9`	`0.244`	`2`	`3`	`0`	`0.000`
`5`		A	`14`	`4`	`16451`	`x`	A	-x+1,y-1/2,-z+2	`2_647`	`11`	`5`	`16451`	`133.6`	`-2.8`	`0.071`	`0`	`0`	`0`	`0.000`
`6`		A	`17`	`7`	`16451`	`x`	A	x,y,z-1	`1_554`	`11`	`5`	`16451`	`123.2`	`0.5`	`0.694`	`1`	`0`	`0`	`0.000`
`7`		[SO4]A:401	`5`	`1`	`188`	`f`	A	x,y,z	`1_555`	`14`	`6`	`16451`	`99.1`	`-13.8`	`0.915`	`5`	`0`	`0`	`0.034`
`8`		[SO4]A:403	`5`	`1`	`186`	`f`	A	x,y,z	`1_555`	`17`	`5`	`16451`	`89.8`	`-13.8`	`0.696`	`1`	`0`	`0`	`0.030`
`9`		A	`3`	`2`	`16451`	`◊`	[SO4]A:403	x-1,y,z	`1_455`	`4`	`1`	`186`	`48.5`	`-6.1`	`0.333`	`0`	`0`	`0`	`0.000`
`10`		[SO4]A:402	`4`	`1`	`186`	`f`	A	x,y,z	`1_555`	`7`	`3`	`16451`	`48.0`	`-4.8`	`0.955`	`1`	`0`	`0`	`0.011`
`11`		A	`5`	`2`	`16451`	`x`	A	-x+1,y-1/2,-z+1	`2_646`	`6`	`2`	`16451`	`27.4`	`0.5`	`0.743`	`0`	`0`	`0`	`0.000`
`12`		[SO4]A:402	`3`	`1`	`186`	`f`	[SO4]A:401	x,y,z	`1_555`	`1`	`1`	`188`	`4.3`	`-1.0`	`1.000`	`0`	`0`	`0`	`0.002`

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

Protein Data Bank
in Europe