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Session Map (id=415-5I-8K0)

Interfaces in PDB 4cqg crystal.
Space symmetry group: P 21 21 21. Resolution: 2.57 Å

THE CRYSTAL STRUCTURE OF MPK38 IN COMPLEX WITH OTSSP167, AN ORALLY-ADMINISTRATIVE MELK SELECTIVE INHIBITOR

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	`87`	`25`	`15460`	`x`	A	-x,y-1/2,-z+1/2	`4_545`	`100`	`27`	`15460`	`856.7`	`-8.5`	`0.150`	`7`	`1`	`0`	`0.000`
`2`		[OT5]A:1332	`32`	`1`	`658`	`f`	A	x,y,z	`1_555`	`61`	`26`	`15460`	`485.8`	`-19.4`	`0.352`	`3`	`0`	`0`	`0.063`
`3`		A	`58`	`18`	`15460`	`x`	A	x-1,y,z	`1_455`	`56`	`15`	`15460`	`475.6`	`-4.1`	`0.332`	`3`	`0`	`0`	`0.000`
`4`		A	`37`	`9`	`15460`	`x`	A	-x-1/2,-y,z-1/2	`2_454`	`25`	`8`	`15460`	`259.0`	`-1.8`	`0.251`	`3`	`0`	`0`	`0.000`
`5`		A	`14`	`6`	`15460`	`f`	[SO4]A:1333	x-1,y,z	`1_455`	`5`	`1`	`184`	`84.6`	`-11.6`	`0.702`	`1`	`0`	`0`	`0.037`
`6`		[SO4]A:1333	`4`	`1`	`184`	`◊`	A	x,y,z	`1_555`	`11`	`5`	`15460`	`67.6`	`-9.6`	`0.829`	`3`	`0`	`0`	`0.000`
`7`		A	`2`	`1`	`15460`	`x`	A	-x-1,y-1/2,-z+1/2	`4_445`	`3`	`2`	`15460`	`11.9`	`0.5`	`0.793`	`0`	`0`	`0`	`0.000`
`8`		A	`1`	`1`	`15460`	`◊`	[OT5]A:1332	x-1,y,z	`1_455`	`1`	`1`	`658`	`10.8`	`-0.1`	`0.673`	`0`	`0`	`0`	`0.000`

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

Protein Data Bank
in Europe