PDBe < PISA < EMBL-EBI

PISA Interface List.

Session Map (id=273-9A-HCG)

Interfaces in PDB 6tpd crystal.
Space symmetry group: C 1 2 1. Resolution: 1.99 Å

FRAGMENT-BASED DISCOVERY OF PYRAZOLOPYRIDONES AS JAK1 INHIBITORS WITH EXCELLENT SUBTYPE SELECTIVITY

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	`64`	`18`	`14653`	`◊`	A	-x+2,y,-z	`2_755`	`64`	`18`	`14653`	`608.7`	`-6.0`	`0.117`	`8`	`0`	`0`	`0.000`
`2`		A	`59`	`15`	`14653`	`x`	A	-x+5/2,y-1/2,-z	`4_745`	`67`	`20`	`14653`	`593.4`	`0.1`	`0.456`	`6`	`2`	`0`	`0.000`
`3`		A	`46`	`14`	`14653`	`x`	A	x,y,z-1	`1_554`	`43`	`11`	`14653`	`439.4`	`4.9`	`0.854`	`10`	`4`	`0`	`0.000`
`4`		A	`44`	`14`	`14653`	`x`	A	-x+5/2,y-1/2,-z+1	`4_746`	`48`	`11`	`14653`	`415.0`	`-1.7`	`0.335`	`3`	`0`	`0`	`0.000`
`5`		A	`40`	`11`	`14653`	`◊`	A	-x+2,y,-z+1	`2_756`	`40`	`11`	`14653`	`344.8`	`-4.0`	`0.162`	`6`	`0`	`0`	`0.000`
`6`		[QZ8]A:1201	`17`	`1`	`380`	`◊`	A	x,y,z	`1_555`	`38`	`17`	`14653`	`255.7`	`1.6`	`0.191`	`2`	`0`	`0`	`0.000`
`7`		[QZ8]A:1201	`1`	`1`	`380`	`f`	A	-x+2,y,-z	`2_755`	`1`	`1`	`14653`	`4.9`	`0.1`	`0.521`	`0`	`0`	`0`	`0.000`

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

Protein Data Bank
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