PDBe < PISA < EMBL-EBI

PISA Interface List.

Session Map (id=819-72-MEF)

Interfaces in PDB 6eyb crystal.
Space symmetry group: I 2 2 2. Resolution: 1.90 Å

ESTIMATION OF RELATIVE DRUG-TARGET RESIDENCE TIMES BY RANDOM ACCELERATION MOLECULAR DYNAMICS SIMULATION

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	`77`	`22`	`10649`	`◊`	A	-x+2,-y+1,z	`2_765`	`77`	`22`	`10649`	`734.0`	`-11.5`	`0.061`	`4`	`0`	`0`	`0.318`
`2`		[C3Z]A:301	`28`	`1`	`566`	`f`	A	x,y,z	`1_555`	`58`	`18`	`10649`	`395.5`	`-1.5`	`0.413`	`1`	`0`	`0`	`0.094`
`3`		A	`44`	`13`	`10649`	`◊`	A	-x+2,y,-z+1	`3_756`	`44`	`13`	`10649`	`357.3`	`-2.8`	`0.418`	`4`	`0`	`0`	`0.000`
`4`		A	`28`	`9`	`10649`	`x`	A	x-1/2,-y+1/2,-z+1/2	`8_455`	`36`	`13`	`10649`	`273.3`	`-3.9`	`0.234`	`2`	`0`	`0`	`0.000`
`5`		[SO4]A:302	`5`	`1`	`186`	`f`	A	x,y,z	`1_555`	`13`	`5`	`10649`	`84.3`	`-11.8`	`0.796`	`1`	`0`	`0`	`0.588`
`6`		[SO4]A:302	`4`	`1`	`186`	`◊`	A	x-1/2,-y+1/2,-z+1/2	`8_455`	`4`	`3`	`10649`	`31.5`	`-3.6`	`0.745`	`0`	`0`	`0`	`0.000`

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

Protein Data Bank
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