PDBe < PISA < EMBL-EBI

PISA Interface List.

Session Map (id=246-H3-A25)

Interfaces in PDB 4ajw crystal.
Space symmetry group: P 1 21 1. Resolution: 2.80 Å

DISCOVERY AND OPTIMIZATION OF NEW BENZIMIDAZOLE- AND BENZOXAZOLE- PYRIMIDONE SELECTIVE PI3KBETA INHIBITORS FOR THE TREATMENT OF PHOSPHATASE AND TENSIN HOMOLOGUE (PTEN)-DEFICIENT CANCERS

Interfaces

##			Structure 1				×	Structure 2						interface area, Å²	ΔⁱG kcal/mol	ΔⁱG P-value	N_HB	N_SB	N_DS	CSS
Id	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	`1`		A	`49`	`15`	`35448`	`◊`	B	-x,y-1/2,-z	`2_545`	`57`	`16`	`36101`	`522.6`	`-9.4`	`0.042`	`7`	`0`	`0`	`0.000`
2	`2`		B	`57`	`18`	`36101`	`◊`	A	x,y,z	`1_555`	`59`	`20`	`35448`	`461.1`	`6.6`	`0.961`	`3`	`4`	`0`	`0.000`
3	`3`		B	`44`	`9`	`36101`	`x`	B	x-1,y,z	`1_455`	`44`	`15`	`36101`	`414.0`	`-1.8`	`0.509`	`7`	`0`	`0`	`0.000`
	`4`		A	`45`	`16`	`35448`	`x`	A	x-1,y,z	`1_455`	`45`	`9`	`35448`	`413.3`	`-1.7`	`0.522`	`7`	`0`	`0`	`0.000`
	*Average:*													`413.6`	`-1.8`	`0.515`	`7`	`0`	`0`	`0.000`
4	`5`		[VWN]B:2027	`24`	`1`	`533`	`f`	B	x,y,z	`1_555`	`51`	`19`	`36101`	`369.6`	`-0.1`	`0.168`	`2`	`0`	`0`	`0.100`
	`6`		[VWN]A:2027	`24`	`1`	`533`	`f`	A	x,y,z	`1_555`	`50`	`19`	`35448`	`367.6`	`-0.3`	`0.164`	`2`	`0`	`0`	`0.100`
	*Average:*													`368.6`	`-0.2`	`0.166`	`2`	`0`	`0`	`0.100`
5	`7`		B	`39`	`17`	`36101`	`x`	B	x-1,y,z-1	`1_454`	`32`	`15`	`36101`	`245.4`	`0.5`	`0.723`	`0`	`2`	`0`	`0.000`
	`8`		A	`25`	`12`	`35448`	`x`	A	x,y,z-1	`1_554`	`21`	`12`	`35448`	`129.5`	`-1.4`	`0.468`	`0`	`0`	`0`	`0.000`
	*Average:*													`187.4`	`-0.5`	`0.596`	`0`	`1`	`0`	`0.000`
6	`9`		A	`22`	`6`	`35448`	`◊`	B	-x+1,y-1/2,-z+1	`2_646`	`14`	`5`	`36101`	`150.5`	`-1.2`	`0.358`	`1`	`0`	`0`	`0.000`
	`10`		A	`12`	`5`	`35448`	`◊`	B	-x,y-1/2,-z+1	`2_546`	`17`	`6`	`36101`	`106.7`	`-1.6`	`0.331`	`0`	`0`	`0`	`0.000`
	*Average:*													`128.6`	`-1.4`	`0.345`	`1`	`0`	`0`	`0.000`
7	`11`		B	`4`	`1`	`36101`	`◊`	A	x-1,y,z	`1_455`	`4`	`1`	`35448`	`41.7`	`-0.1`	`0.575`	`0`	`0`	`0`	`0.000`
8	`12`		B	`3`	`2`	`36101`	`x`	B	x,y,z-1	`1_554`	`2`	`1`	`36101`	`1.4`	`0.0`	`0.639`	`0`	`0`	`0`	`0.000`
	`13`		A	`3`	`2`	`35448`	`x`	A	x-1,y,z-1	`1_454`	`2`	`1`	`35448`	`1.2`	`0.0`	`0.645`	`0`	`0`	`0`	`0.000`
	*Average:*													`1.3`	`0.0`	`0.642`	`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