PDBe < PISA < EMBL-EBI

PISA Interface List.

Session Map (id=136-DC-MH1)

Interfaces in PDB 3l1s crystal.
Space symmetry group: P 21 21 21. Resolution: 2.90 Å

3-ARYL-4-(ARYLHYDRAZONO)-1H-PYRAZOL-5-ONES: HIGHLY LIGAND EFFICIENT AND POTENT INHIBITORS OF GSK3

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`		B	`78`	`25`	`15442`	`◊`	A	x,y,z	`1_555`	`81`	`25`	`15736`	`731.4`	`-7.1`	`0.378`	`6`	`0`	`0`	`0.000`
2	`2`		B	`45`	`12`	`15442`	`x`	B	x-1/2,-y+3/2,-z+1	`4_466`	`50`	`15`	`15442`	`466.9`	`-4.1`	`0.434`	`4`	`1`	`0`	`0.000`
3	`3`		[Z92]B:422	`25`	`1`	`551`	`f`	B	x,y,z	`1_555`	`49`	`22`	`15442`	`381.0`	`0.6`	`0.411`	`5`	`0`	`0`	`0.100`
	`4`		[Z92]A:421	`25`	`1`	`546`	`f`	A	x,y,z	`1_555`	`51`	`22`	`15736`	`377.6`	`0.3`	`0.358`	`4`	`0`	`0`	`0.100`
	*Average:*													`379.3`	`0.5`	`0.385`	`5`	`0`	`0`	`0.100`
4	`5`		A	`38`	`14`	`15736`	`x`	A	-x+1,y-1/2,-z+1/2	`3_645`	`38`	`12`	`15736`	`361.1`	`-2.1`	`0.538`	`3`	`1`	`0`	`0.000`
5	`6`		A	`28`	`7`	`15736`	`◊`	B	-x+1/2,-y+1,z-1/2	`2_564`	`36`	`14`	`15442`	`270.8`	`-3.8`	`0.319`	`2`	`0`	`0`	`0.000`
6	`7`		[PO4]B:421	`5`	`1`	`195`	`f`	B	x,y,z	`1_555`	`23`	`9`	`15442`	`117.8`	`-7.3`	`0.750`	`3`	`0`	`0`	`0.084`

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

Protein Data Bank
in Europe