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Session Map (id=413-59-6AL)

Interfaces in PDB 5w84 crystal.
Space symmetry group: I 2 2 2. Resolution: 2.90 Å

CRYSTAL STRUCTURE OF IRAK-4 WITH A 4,6-DIAMINONICOTINAMIDE INHIBITOR (COMPOUND NUMBER 4)

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	`69`	`24`	`13029`	`◊`	A	x-1/2,-y+1/2,-z+1/2	`8_455`	`67`	`23`	`13689`	`727.1`	`-5.5`	`0.451`	`5`	`0`	`0`	`0.000`
2	`2`		B	`77`	`21`	`13029`	`◊`	A	x,y,z	`1_555`	`75`	`20`	`13689`	`634.3`	`-4.5`	`0.572`	`6`	`0`	`0`	`0.000`
3	`3`		B	`53`	`18`	`13029`	`◊`	A	-x,y,-z	`3_555`	`54`	`17`	`13689`	`452.3`	`-3.0`	`0.550`	`5`	`2`	`0`	`0.000`
4	`4`		A	`50`	`14`	`13689`	`◊`	A	-x,y,-z	`3_555`	`49`	`14`	`13689`	`406.6`	`-4.4`	`0.402`	`0`	`0`	`0`	`0.000`
5	`5`		[9YY]B:4000	`27`	`1`	`555`	`f`	B	x,y,z	`1_555`	`58`	`21`	`13029`	`399.3`	`-1.6`	`0.540`	`2`	`0`	`0`	`0.100`
	`6`		[9YY]A:4000	`27`	`1`	`549`	`f`	A	x,y,z	`1_555`	`54`	`22`	`13689`	`377.4`	`-1.8`	`0.477`	`4`	`0`	`0`	`0.100`
	*Average:*													`388.4`	`-1.7`	`0.509`	`3`	`0`	`0`	`0.100`
6	`7`		A	`36`	`8`	`13689`	`◊`	A	x,-y+1,-z	`4_565`	`36`	`8`	`13689`	`277.9`	`-0.0`	`0.750`	`4`	`0`	`0`	`0.000`
	`8`		B	`34`	`6`	`13029`	`◊`	B	x,-y,-z	`4_555`	`34`	`6`	`13029`	`272.2`	`-0.9`	`0.702`	`2`	`0`	`0`	`0.000`
	*Average:*													`275.1`	`-0.5`	`0.726`	`3`	`0`	`0`	`0.000`
7	`9`		A	`4`	`2`	`13689`	`◊`	A	-x,-y+1,z	`2_565`	`5`	`2`	`13689`	`16.1`	`0.3`	`0.727`	`0`	`0`	`0`	`0.000`

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

Protein Data Bank
in Europe