PDBe < PISA < EMBL-EBI

PISA Interface List.

Session Map (id=435-6G-9MJ)

Interfaces in PDB 3pre crystal.
Space symmetry group: C 1 2 1. Resolution: 2.91 Å

QUINAZOLINES WITH INTRA-MOLECULAR HYDROGEN BONDING SCAFFOLD (IMHBS) AS PI3K/MTOR DUAL INHIBITORS.

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`	`13`	`36510`	`◊`	A	-x,y,-z	`2_555`	`48`	`13`	`36510`	`491.0`	`-6.2`	`0.140`	`0`	`0`	`0`	`0.000`
`2`		A	`40`	`14`	`36510`	`x`	A	x,y-1,z	`1_545`	`34`	`12`	`36510`	`372.0`	`-5.7`	`0.091`	`1`	`0`	`0`	`0.000`
`3`		[3RE]A:101	`25`	`1`	`550`	`f`	A	x,y,z	`1_555`	`53`	`20`	`36510`	`363.7`	`-2.5`	`0.202`	`1`	`0`	`0`	`0.100`
`4`		A	`40`	`13`	`36510`	`x`	A	-x+1/2,y-1/2,-z+1	`4_546`	`33`	`12`	`36510`	`306.5`	`-2.7`	`0.320`	`0`	`0`	`0`	`0.000`
`5`		A	`44`	`18`	`36510`	`x`	A	-x+1/2,y-1/2,-z	`4_545`	`34`	`12`	`36510`	`292.6`	`3.0`	`0.883`	`2`	`4`	`0`	`0.000`
`6`		A	`29`	`8`	`36510`	`◊`	A	-x,y,-z+1	`2_556`	`29`	`8`	`36510`	`278.9`	`-2.6`	`0.343`	`2`	`2`	`0`	`0.000`
`7`		A	`26`	`11`	`36510`	`x`	A	x-1/2,y-1/2,z	`3_445`	`23`	`11`	`36510`	`186.8`	`2.3`	`0.824`	`0`	`0`	`0`	`0.000`

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

Protein Data Bank
in Europe