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Interfaces in PDB 2q8g crystal.
Space symmetry group: P 41 21 2. Resolution: 1.90 Å

STRUCTURE OF PYRUVATE DEHYDROGENASE KINASE ISOFORM 1 IN COMPLEX WITH GLUCOSE-LOWERING DRUG AZD7545

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	`203`	`56`	`18264`	`◊`	A	y,x,-z	`7_555`	`203`	`56`	`18264`	`2008.5`	`-18.3`	`0.133`	`32`	`12`	`0`	`0.136`
`2`		A	`73`	`22`	`18264`	`x`	A	-y+1/2,x+1/2,z+1/4	`3_555`	`68`	`23`	`18264`	`645.9`	`-4.7`	`0.357`	`5`	`1`	`0`	`0.000`
`3`		A	`56`	`13`	`18264`	`◊`	A	-y,-x,-z-1/2	`8_554`	`56`	`13`	`18264`	`450.5`	`-2.4`	`0.499`	`4`	`6`	`0`	`0.000`
`4`		[AZX]A:438	`28`	`1`	`653`	`f`	A	x,y,z	`1_555`	`50`	`15`	`18264`	`351.3`	`-8.6`	`0.229`	`2`	`0`	`0`	`0.076`
`5`		[K]A:437	`1`	`1`	`216`	`f`	A	x,y,z	`1_555`	`12`	`7`	`18264`	`116.7`	`-99.3`	`0.000`	`0`	`0`	`0`	`0.788`
`6`		[AZX]A:438	`11`	`1`	`653`	`◊`	A	-y+1/2,x+1/2,z+1/4	`3_555`	`9`	`3`	`18264`	`64.9`	`1.9`	`0.723`	`0`	`0`	`0`	`0.000`
`7`		A	`5`	`1`	`18264`	`x`	A	x-1/2,-y+1/2,-z-1/4	`6_454`	`11`	`4`	`18264`	`60.5`	`1.1`	`0.752`	`0`	`0`	`0`	`0.000`
`8`		[K]A:437	`1`	`1`	`216`	`◊`	A	-y+1/2,x+1/2,z+1/4	`3_555`	`1`	`1`	`18264`	`2.1`	`-1.1`	`0.000`	`0`	`0`	`0`	`0.000`

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

Protein Data Bank
in Europe