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Interfaces in PDB 6c57 crystal.
Space symmetry group: I 4 2 2. Resolution: 3.50 Å

CRYSTAL STRUCTURE OF MUTANT HUMAN GERANYLGERANYL PYROPHOSPHATE SYNTHASE (Y246D) IN COMPLEX WITH BISPHOSPHONATE INHIBITOR FV0109

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`		B	`168`	`40`	`12931`	`◊`	A	x,y,z	`1_555`	`165`	`43`	`14022`	`1680.4`	`-33.7`	`0.019`	`5`	`0`	`0`	`0.879`
`2`		[FV9]B:401	`34`	`1`	`655`	`f`	B	x,y,z	`1_555`	`63`	`26`	`12931`	`482.3`	`-3.6`	`0.723`	`3`	`0`	`0`	`0.121`
`3`		B	`47`	`15`	`12931`	`◊`	B	-y,-x,-z-1	`8_554`	`46`	`15`	`12931`	`457.3`	`-8.8`	`0.197`	`1`	`0`	`0`	`0.089`
`4`		A	`47`	`17`	`14022`	`◊`	A	-y,-x,-z-1	`8_554`	`48`	`17`	`14022`	`388.3`	`-5.1`	`0.501`	`4`	`0`	`0`	`0.066`
`5`		B	`41`	`16`	`12931`	`◊`	A	-y,-x,-z-1	`8_554`	`47`	`8`	`14022`	`365.8`	`-2.4`	`0.626`	`2`	`0`	`0`	`0.062`
`6`		B	`26`	`10`	`12931`	`◊`	B	y-1/2,x+1/2,-z-1/2	`15_454`	`26`	`10`	`12931`	`278.7`	`2.5`	`0.972`	`2`	`2`	`0`	`0.000`
`7`		A	`24`	`7`	`14022`	`x`	A	-y,x,z	`3_555`	`22`	`5`	`14022`	`212.1`	`-4.3`	`0.242`	`0`	`0`	`0`	`0.072`
`8`		B	`19`	`8`	`12931`	`◊`	A	x,-y,-z-1	`6_554`	`18`	`7`	`14022`	`189.1`	`-2.8`	`0.359`	`2`	`0`	`0`	`0.061`
`9`		B	`1`	`1`	`12931`	`◊`	B	x,-y,-z-1	`6_554`	`1`	`1`	`12931`	`21.0`	`0.5`	`0.910`	`1`	`0`	`0`	`0.000`
`10`		B	`2`	`2`	`12931`	`◊`	A	y-1/2,x+1/2,-z-1/2	`15_454`	`1`	`1`	`14022`	`4.1`	`-0.1`	`0.468`	`0`	`0`	`0`	`0.000`
`11`		A	`1`	`1`	`14022`	`◊`	A	x,-y,-z-1	`6_554`	`1`	`1`	`14022`	`3.6`	`0.1`	`0.807`	`0`	`0`	`0`	`0.000`

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

Protein Data Bank
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