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Interfaces in PDB 4j52 crystal.
Space symmetry group: P 32 2 1. Resolution: 2.30 Å

CRYSTAL STRUCTURE OF PLK1 IN COMPLEX WITH A PYRIMIDODIAZEPINONE 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	`80`	`20`	`15238`	`◊`	A	y+1,x-1,-z	`4_645`	`77`	`20`	`15238`	`776.8`	`-9.5`	`0.101`	`0`	`0`	`0`	`0.095`
`2`		A	`55`	`14`	`15238`	`x`	A	-y,x-y-1,z-1/3	`2_544`	`52`	`16`	`15238`	`537.9`	`-4.1`	`0.244`	`5`	`0`	`0`	`0.000`
`3`		[1J3]A:400	`38`	`1`	`799`	`f`	A	x,y,z	`1_555`	`65`	`23`	`15238`	`494.5`	`-2.1`	`0.472`	`3`	`0`	`0`	`0.068`
`4`		A	`38`	`10`	`15238`	`x`	A	-x+1,-x+y,-z-1/3	`6_654`	`36`	`9`	`15238`	`341.4`	`1.6`	`0.737`	`5`	`5`	`0`	`0.000`
`5`		A	`13`	`2`	`15238`	`x`	A	y,x-1,-z	`4_545`	`14`	`3`	`15238`	`130.5`	`-1.3`	`0.330`	`1`	`0`	`0`	`0.000`
`6`		A	`14`	`5`	`15238`	`◊`	A	-x,-x+y,-z-1/3	`6_554`	`14`	`5`	`15238`	`124.3`	`-0.1`	`0.587`	`2`	`4`	`0`	`0.000`
`7`		[ACT]A:402	`4`	`1`	`182`	`f`	A	x,y,z	`1_555`	`17`	`8`	`15238`	`108.1`	`-0.5`	`0.619`	`3`	`0`	`0`	`0.036`
`8`		[ZN]A:401	`1`	`1`	`98`	`f`	A	x,y,z	`1_555`	`5`	`2`	`15238`	`38.4`	`-22.3`	`0.000`	`0`	`0`	`0`	`0.444`
`9`		[ZN]A:401	`1`	`1`	`98`	`◊`	A	y+1,x-1,-z	`4_645`	`6`	`3`	`15238`	`33.9`	`-17.9`	`0.000`	`0`	`0`	`0`	`0.357`

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

Protein Data Bank
in Europe