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Interfaces in PDB 2q8h crystal.
Space symmetry group: P 41 21 2. Resolution: 2.00 Å

STRUCTURE OF PYRUVATE DEHYDROGENASE KINASE ISOFORM 1 IN COMPLEX WITH DICHLOROACETATE (DCA)

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	`207`	`56`	`18278`	`◊`	A	y,x,-z	`7_555`	`204`	`56`	`18278`	`2020.9`	`-19.1`	`0.086`	`34`	`16`	`0`	`0.140`
`2`		A	`76`	`25`	`18278`	`x`	A	-y+1/2,x+1/2,z+1/4	`3_555`	`76`	`25`	`18278`	`680.1`	`-3.8`	`0.354`	`5`	`1`	`0`	`0.000`
`3`		A	`54`	`13`	`18278`	`◊`	A	-y,-x,-z-1/2	`8_554`	`53`	`13`	`18278`	`447.7`	`-2.8`	`0.419`	`6`	`4`	`0`	`0.000`
`4`		[TF4]A:438	`6`	`1`	`232`	`f`	A	x,y,z	`1_555`	`25`	`10`	`18278`	`154.4`	`-12.2`	`0.492`	`0`	`0`	`0`	`0.094`
`5`		[K]A:437	`1`	`1`	`216`	`f`	A	x,y,z	`1_555`	`13`	`7`	`18278`	`116.0`	`-99.8`	`0.000`	`0`	`0`	`0`	`0.766`
`6`		A	`2`	`1`	`18278`	`x`	A	x-1/2,-y+1/2,-z-1/4	`6_454`	`8`	`3`	`18278`	`36.5`	`1.3`	`0.820`	`1`	`0`	`0`	`0.000`
`7`		[K]A:437	`1`	`1`	`216`	`◊`	A	-y+1/2,x+1/2,z+1/4	`3_555`	`1`	`1`	`18278`	`3.1`	`-1.5`	`0.000`	`0`	`0`	`0`	`0.000`

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

Protein Data Bank
in Europe