PDBe < PISA < EMBL-EBI

PISA Interface List.

Session Map (id=576-45-HGK)

Interfaces in PDB 3ml8 crystal.
Space symmetry group: C 1 2 1. Resolution: 2.70 Å

DISCOVERY OF THE HIGHLY POTENT PI3K/MTOR DUAL INHIBITOR PF-04691502 THROUGH STRUCTURE BASED DRUG DESIGN

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	`48`	`14`	`36126`	`◊`	A	-x,y,-z	`2_555`	`48`	`14`	`36126`	`452.5`	`-5.8`	`0.153`	`4`	`0`	`0`	`0.000`
`2`		[ML8]A:9999	`27`	`1`	`589`	`f`	A	x,y,z	`1_555`	`54`	`22`	`36126`	`408.5`	`-0.3`	`0.207`	`4`	`0`	`0`	`0.100`
`3`		A	`34`	`18`	`36126`	`x`	A	-x+1/2,y-1/2,-z	`4_545`	`32`	`10`	`36126`	`280.5`	`1.6`	`0.819`	`2`	`4`	`0`	`0.000`
`4`		A	`32`	`12`	`36126`	`x`	A	-x+1/2,y-1/2,-z+1	`4_546`	`29`	`11`	`36126`	`276.4`	`-1.8`	`0.398`	`0`	`0`	`0`	`0.000`
`5`		A	`31`	`11`	`36126`	`x`	A	x,y-1,z	`1_545`	`28`	`9`	`36126`	`266.2`	`-6.5`	`0.030`	`1`	`0`	`0`	`0.000`
`6`		A	`28`	`9`	`36126`	`◊`	A	-x,y,-z+1	`2_556`	`27`	`9`	`36126`	`251.1`	`-2.2`	`0.372`	`2`	`2`	`0`	`0.000`
`7`		A	`24`	`8`	`36126`	`x`	A	x-1/2,y-1/2,z	`3_445`	`27`	`8`	`36126`	`186.3`	`-0.1`	`0.564`	`0`	`0`	`0`	`0.000`

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

Protein Data Bank
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