PDBe < PISA < EMBL-EBI

PISA Interface List.

Session Map (id=795-4A-DPC)

Interfaces in PDB 4uwl crystal.
Space symmetry group: P 21 21 2. Resolution: 2.80 Å

DISCOVERY OF (2S)-8-((3R)-3-METHYLMORPHOLIN-4-YL)-1-(3- METHYL-2-OXO-BUTYL)-2-(TRIFLUOROMETHYL)-3,4-DIHYDRO-2H- PYRIMIDO(1,2-A)PYRIMIDIN-6-ONE: A NOVEL POTENT AND SELECTIVE INHIBITOR OF VPS34 FOR THE TREATMENT OF SOLID TUMORS

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	`100`	`30`	`24203`	`◊`	A	-x-1,-y,z	`2_455`	`101`	`30`	`24203`	`1008.6`	`1.3`	`0.705`	`22`	`4`	`0`	`0.000`
`2`		A	`86`	`30`	`24203`	`x`	A	x,y,z-1	`1_554`	`80`	`20`	`24203`	`758.9`	`-4.2`	`0.314`	`5`	`2`	`0`	`0.000`
`3`		A	`57`	`15`	`24203`	`x`	A	x-1/2,-y+1/2,-z	`4_455`	`66`	`17`	`24203`	`545.0`	`-0.8`	`0.472`	`6`	`3`	`0`	`0.000`
`4`		[7A5]A:1872	`26`	`1`	`559`	`f`	A	x,y,z	`1_555`	`52`	`20`	`24203`	`380.4`	`-4.2`	`0.153`	`2`	`0`	`0`	`0.013`
`5`		[SO4]A:1870	`5`	`1`	`185`	`f`	A	x,y,z	`1_555`	`27`	`8`	`24203`	`126.2`	`-17.4`	`0.553`	`1`	`0`	`0`	`0.046`
`6`		A	`12`	`6`	`24203`	`x`	A	x-1/2,-y+1/2,-z-1	`4_454`	`9`	`4`	`24203`	`97.7`	`-2.2`	`0.113`	`0`	`0`	`0`	`0.000`
`7`		[SO4]A:1871	`5`	`1`	`185`	`f`	A	x,y,z	`1_555`	`11`	`3`	`24203`	`68.1`	`-9.9`	`0.547`	`1`	`0`	`0`	`0.027`
`8`		[7A5]A:1872	`9`	`1`	`559`	`f`	[SO4]A:1871	x,y,z	`1_555`	`5`	`1`	`185`	`53.7`	`-5.7`	`0.794`	`0`	`0`	`0`	`0.015`
`9`		A	`3`	`1`	`24203`	`x`	A	-x-1,-y,z-1	`2_454`	`3`	`1`	`24203`	`19.2`	`0.3`	`0.707`	`0`	`0`	`0`	`0.000`

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

Protein Data Bank
in Europe

Bringing Structure to Biology

PDBePISA

Protein Data Bank in Europe

Bringing Structure to Biology

PDBePISA

Protein Data Bank
in Europe