PDBe < PISA < EMBL-EBI

PISA Interface List.

Session Map (id=652-02-CD3)

Interfaces in PDB 6eln crystal.
Space symmetry group: I 2 2 2. Resolution: 1.60 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	`95`	`29`	`10407`	`◊`	A	-x+2,-y+1,z	`2_765`	`94`	`29`	`10407`	`851.3`	`-12.9`	`0.051`	`4`	`0`	`0`	`0.167`
`2`		A	`43`	`11`	`10407`	`◊`	A	-x+2,y,-z+1	`3_756`	`43`	`11`	`10407`	`353.3`	`-2.8`	`0.387`	`4`	`0`	`0`	`0.000`
`3`		[P4A]A:301	`22`	`1`	`491`	`f`	A	x,y,z	`1_555`	`50`	`20`	`10407`	`349.3`	`-4.2`	`0.501`	`4`	`0`	`0`	`0.135`
`4`		A	`28`	`8`	`10407`	`x`	A	x-1/2,-y+1/2,-z+1/2	`8_455`	`34`	`12`	`10407`	`297.5`	`-4.5`	`0.156`	`2`	`0`	`0`	`0.000`
`5`		[SO4]A:302	`5`	`1`	`184`	`f`	A	x,y,z	`1_555`	`12`	`5`	`10407`	`76.0`	`-8.5`	`0.867`	`1`	`0`	`0`	`0.204`
`6`		[SO4]A:303	`5`	`1`	`186`	`f`	A	x,y,z	`1_555`	`10`	`4`	`10407`	`66.2`	`-7.5`	`0.959`	`2`	`0`	`0`	`0.190`
`7`		[SO4]A:302	`4`	`1`	`184`	`◊`	A	-x+2,-y+1,z	`2_765`	`13`	`4`	`10407`	`60.9`	`-8.8`	`0.597`	`0`	`0`	`0`	`0.199`
`8`		[SO4]A:302	`3`	`1`	`184`	`f`	[P4A]A:301	x,y,z	`1_555`	`6`	`1`	`491`	`34.1`	`-4.7`	`0.748`	`0`	`0`	`0`	`0.106`

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

Protein Data Bank
in Europe