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Interfaces in PDB 2b7a crystal.
Space symmetry group: P 41. Resolution: 2.00 Å

THE STRUCTURAL BASIS OF JANUS KINASE 2 INHIBITION BY A POTENT AND SPECIFIC PAN-JANUS KINASE INHIBITOR

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	`67`	`23`	`14395`	`◊`	B	-y+2,x,z+1/4	`3_755`	`82`	`23`	`15090`	`669.5`	`7.6`	`0.923`	`13`	`1`	`0`	`0.000`
2	`2`		B	`71`	`18`	`15090`	`x`	B	-y+2,x,z+1/4	`3_755`	`63`	`21`	`15090`	`569.8`	`-4.9`	`0.234`	`2`	`0`	`0`	`0.000`
3	`3`		B	`50`	`13`	`15090`	`◊`	A	x,y,z	`1_555`	`76`	`20`	`14395`	`517.1`	`1.5`	`0.668`	`8`	`3`	`0`	`0.000`
4	`4`		A	`63`	`17`	`14395`	`x`	A	-x+2,-y+1,z-1/2	`2_764`	`56`	`18`	`14395`	`487.4`	`-2.4`	`0.381`	`5`	`3`	`0`	`0.000`
5	`5`		A	`42`	`14`	`14395`	`◊`	B	-y+2,x,z-3/4	`3_754`	`51`	`17`	`15090`	`427.1`	`0.4`	`0.615`	`5`	`0`	`0`	`0.000`
6	`6`		[IZA]A:2001	`22`	`1`	`485`	`f`	A	x,y,z	`1_555`	`49`	`21`	`14395`	`357.0`	`-0.8`	`0.328`	`3`	`0`	`0`	`0.100`
	`7`		[IZA]B:2002	`22`	`1`	`486`	`f`	B	x,y,z	`1_555`	`48`	`21`	`15090`	`354.2`	`-0.4`	`0.320`	`3`	`0`	`0`	`0.100`
	*Average:*													`355.6`	`-0.6`	`0.324`	`3`	`0`	`0`	`0.100`
7	`8`		B	`26`	`9`	`15090`	`◊`	A	-y+1,x,z+1/4	`3_655`	`23`	`10`	`14395`	`212.6`	`-0.3`	`0.481`	`1`	`2`	`0`	`0.000`

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

Protein Data Bank
in Europe