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Interfaces in PDB 5ive crystal.
Space symmetry group: C 1 2 1. Resolution: 1.78 Å

LINKED KDM5A JMJ DOMAIN BOUND TO THE INHIBITOR N8 ( 5-METHYL-7-OXO-6- (PROPAN-2-YL)-4,7-DIHYDROPYRAZOLO[1,5-A]PYRIMIDINE-3-CARBONITRILE)

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	`129`	`39`	`15006`	`x`	A	-x-1/2,y-1/2,-z	`4_445`	`109`	`32`	`15006`	`1138.8`	`-13.0`	`0.385`	`6`	`2`	`0`	`0.000`
`2`		A	`55`	`19`	`15006`	`◊`	A	-x,y,-z	`2_555`	`56`	`19`	`15006`	`479.7`	`-7.8`	`0.339`	`5`	`0`	`0`	`0.000`
`3`		A	`38`	`9`	`15006`	`x`	A	x,y,z-1	`1_554`	`41`	`12`	`15006`	`301.1`	`-6.5`	`0.251`	`1`	`0`	`0`	`0.000`
`4`		[6E8]A:601	`16`	`1`	`403`	`f`	A	x,y,z	`1_555`	`50`	`19`	`15006`	`273.8`	`-2.8`	`0.588`	`2`	`0`	`0`	`0.038`
`5`		A	`25`	`9`	`15006`	`x`	A	-x-1/2,y-1/2,-z+1	`4_446`	`27`	`6`	`15006`	`214.3`	`-6.2`	`0.103`	`0`	`0`	`0`	`0.000`
`6`		[MN]A:602	`1`	`1`	`123`	`f`	A	x,y,z	`1_555`	`14`	`7`	`15006`	`59.0`	`-4.7`	`0.000`	`0`	`0`	`0`	`0.049`
`7`		[MN]A:602	`1`	`1`	`123`	`f`	[6E8]A:601	x,y,z	`1_555`	`1`	`1`	`403`	`35.9`	`-1.2`	`0.000`	`0`	`0`	`0`	`0.013`

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

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