PDBe < PISA < EMBL-EBI

PISA Interface List.

Session Map (id=644-93-724)

Interfaces in PDB 6ei5 crystal.
Space symmetry group: I 2 2 2. Resolution: 2.20 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	`64`	`21`	`10861`	`◊`	A	-x-1,-y,z	`2_455`	`64`	`21`	`10861`	`610.9`	`-9.5`	`0.072`	`4`	`0`	`0`	`0.065`
`2`		[B5Q]A:301	`31`	`1`	`633`	`f`	A	x,y,z	`1_555`	`65`	`21`	`10861`	`431.7`	`-1.6`	`0.356`	`2`	`0`	`0`	`0.100`
`3`		A	`43`	`11`	`10861`	`◊`	A	-x-1,y,-z	`3_455`	`43`	`11`	`10861`	`344.4`	`-2.0`	`0.481`	`4`	`0`	`0`	`0.000`
`4`		A	`29`	`8`	`10861`	`x`	A	x-1/2,-y-1/2,-z-1/2	`8_444`	`36`	`13`	`10861`	`296.1`	`-3.9`	`0.220`	`2`	`0`	`0`	`0.000`
`5`		[B5Q]A:301	`2`	`1`	`633`	`◊`	A	-x-1,-y,z	`2_455`	`5`	`1`	`10861`	`32.0`	`-0.6`	`0.378`	`0`	`0`	`0`	`0.007`

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

Protein Data Bank
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