PDBe < PISA < EMBL-EBI

PISA Interface List.

Session Map (id=713-5H-H63)

Interfaces in PDB 4yti crystal.
Space symmetry group: C 2 2 21. Resolution: 2.52 Å

DISCOVERY OF VX-509 (DECERNOTINIB): A POTENT AND SELECTIVE JANUS KINASE (JAK) 3 INHIBITOR FOR THE TREATMENT OF AUTOIMMUNE DISEASE

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	`92`	`27`	`14691`	`x`	A	-x+1/2,-y+1/2,z-1/2	`6_554`	`89`	`27`	`14691`	`805.7`	`-5.6`	`0.258`	`8`	`2`	`0`	`0.000`
`2`		A	`79`	`25`	`14691`	`◊`	A	x,-y,-z	`4_555`	`79`	`25`	`14691`	`731.1`	`-0.7`	`0.575`	`6`	`2`	`0`	`0.000`
`3`		A	`53`	`12`	`14691`	`x`	A	x-1/2,-y+1/2,-z	`8_455`	`67`	`19`	`14691`	`511.9`	`-0.3`	`0.578`	`4`	`2`	`0`	`0.000`
`4`		[VJK]A:4000	`27`	`1`	`528`	`f`	A	x,y,z	`1_555`	`48`	`19`	`14691`	`373.6`	`1.9`	`0.250`	`2`	`0`	`0`	`0.000`
`5`		A	`23`	`8`	`14691`	`◊`	A	-x,y,-z+1/2	`3_555`	`23`	`8`	`14691`	`186.1`	`0.4`	`0.633`	`0`	`0`	`0`	`0.000`
`6`		A	`5`	`1`	`14691`	`◊`	A	-x,y,-z-1/2	`3_554`	`5`	`1`	`14691`	`42.6`	`0.6`	`0.748`	`0`	`0`	`0`	`0.000`

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

Protein Data Bank
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