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Interfaces in PDB 5tq3 crystal.
Space symmetry group: P 1 21 1. Resolution: 2.69 Å

DESIGN AND SYNTHESIS OF A PAN-JAK KINASE INHIBITOR CLINICAL CANDIDATE (PF-06263276) SUITABLE FOR THE TREATMENT OF INFLAMMATORY DISEASES OF THE LUNGS AND SKIN

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	`80`	`21`	`14154`	`◊`	A	x,y,z	`1_555`	`78`	`21`	`14072`	`632.4`	`-1.6`	`0.719`	`3`	`0`	`0`	`0.000`
2	`2`		A	`59`	`19`	`14072`	`x`	A	x-1,y,z	`1_455`	`56`	`20`	`14072`	`483.3`	`-4.5`	`0.329`	`4`	`2`	`0`	`0.000`
	`3`		B	`60`	`18`	`14154`	`x`	B	x-1,y,z	`1_455`	`53`	`20`	`14154`	`468.6`	`-6.2`	`0.153`	`3`	`0`	`0`	`0.000`
	*Average:*													`476.0`	`-5.4`	`0.241`	`4`	`1`	`0`	`0.000`
3	`4`		A	`48`	`14`	`14072`	`◊`	B	-x+1,y-1/2,-z+1	`2_646`	`52`	`14`	`14154`	`423.0`	`-2.5`	`0.545`	`0`	`1`	`0`	`0.000`
4	`5`		[7GZ]A:4000	`27`	`1`	`574`	`f`	A	x,y,z	`1_555`	`48`	`22`	`14072`	`388.2`	`6.9`	`0.365`	`4`	`0`	`0`	`0.000`
	`6`		[7GZ]B:4001	`27`	`1`	`575`	`f`	B	x,y,z	`1_555`	`48`	`22`	`14154`	`387.7`	`6.8`	`0.349`	`4`	`0`	`0`	`0.000`
	*Average:*													`388.0`	`6.8`	`0.357`	`4`	`0`	`0`	`0.000`
5	`7`		A	`35`	`9`	`14072`	`x`	A	x,y,z-1	`1_554`	`24`	`6`	`14072`	`234.0`	`-1.2`	`0.573`	`4`	`0`	`0`	`0.000`
	`8`		B	`24`	`6`	`14154`	`x`	B	x-1,y,z-1	`1_454`	`34`	`9`	`14154`	`231.3`	`-1.2`	`0.561`	`4`	`0`	`0`	`0.000`
	*Average:*													`232.6`	`-1.2`	`0.567`	`4`	`0`	`0`	`0.000`
6	`9`		B	`15`	`6`	`14154`	`x`	B	x,y,z-1	`1_554`	`9`	`5`	`14154`	`100.9`	`-0.2`	`0.613`	`0`	`0`	`0`	`0.000`
	`10`		A	`7`	`3`	`14072`	`x`	A	x-1,y,z-1	`1_454`	`11`	`4`	`14072`	`91.3`	`-0.1`	`0.571`	`0`	`0`	`0`	`0.000`
	*Average:*													`96.1`	`-0.2`	`0.592`	`0`	`0`	`0`	`0.000`
7	`11`		A	`3`	`1`	`14072`	`◊`	B	-x,y-1/2,-z+1	`2_546`	`3`	`1`	`14154`	`11.2`	`-0.0`	`0.601`	`0`	`0`	`0`	`0.000`
8	`12`		A	`2`	`1`	`14072`	`◊`	B	x-1,y,z	`1_455`	`1`	`1`	`14154`	`7.1`	`-0.1`	`0.436`	`0`	`0`	`0`	`0.000`
	`13`		B	`2`	`1`	`14154`	`◊`	A	x-1,y,z	`1_455`	`1`	`1`	`14072`	`7.0`	`-0.1`	`0.441`	`0`	`0`	`0`	`0.000`
	*Average:*													`7.1`	`-0.1`	`0.439`	`0`	`0`	`0`	`0.000`

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

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Bringing Structure to Biology

PDBePISA

Protein Data Bank in Europe

Bringing Structure to Biology

PDBePISA

Protein Data Bank
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