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Interfaces in PDB 2jed crystal.
Space symmetry group: P 65. Resolution: 2.32 Å

THE CRYSTAL STRUCTURE OF THE KINASE DOMAIN OF THE PROTEIN KINASE C THETA IN COMPLEX WITH NVP-XAA228 AT 2.32A RESOLUTION.

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	`139`	`35`	`16015`	`◊`	B	x-y,x,z-1/6	`2_554`	`133`	`39`	`17309`	`1247.9`	`-5.5`	`0.451`	`15`	`4`	`0`	`0.284`
2	`2`		B	`62`	`18`	`17309`	`◊`	A	x,y,z	`1_555`	`60`	`15`	`16015`	`542.4`	`3.5`	`0.846`	`7`	`6`	`0`	`0.000`
3	`3`		B	`64`	`17`	`17309`	`◊`	A	-x+1,-y,z-1/2	`4_654`	`55`	`14`	`16015`	`534.7`	`-6.8`	`0.180`	`5`	`4`	`0`	`0.000`
4	`4`		[LG8]A:1701	`34`	`1`	`624`	`f`	A	x,y,z	`1_555`	`63`	`21`	`16015`	`448.9`	`-7.6`	`0.395`	`3`	`0`	`0`	`0.382`
	`5`		[LG8]B:1712	`34`	`1`	`620`	`f`	B	x,y,z	`1_555`	`57`	`21`	`17309`	`430.5`	`-7.0`	`0.381`	`3`	`0`	`0`	`0.382`
	*Average:*													`439.7`	`-7.3`	`0.388`	`3`	`0`	`0`	`0.382`
5	`6`		[MPD]B:1713	`7`	`1`	`274`	`f`	B	x,y,z	`1_555`	`26`	`9`	`17309`	`148.3`	`-10.2`	`0.611`	`1`	`0`	`0`	`0.237`
6	`7`		B	`12`	`5`	`17309`	`x`	B	-y,x-y-1,z-1/3	`3_544`	`13`	`5`	`17309`	`118.8`	`1.1`	`0.686`	`1`	`1`	`0`	`0.000`
7	`8`		A	`12`	`4`	`16015`	`◊`	B	x-y,x,z+5/6	`2_555`	`12`	`4`	`17309`	`84.5`	`-1.4`	`0.351`	`0`	`0`	`0`	`0.000`
8	`9`		A	`10`	`2`	`16015`	`◊`	[MPD]B:1713	x-y,x,z-1/6	`2_554`	`6`	`1`	`274`	`80.6`	`-4.3`	`0.000`	`0`	`0`	`0`	`0.097`
9	`10`		A	`3`	`2`	`16015`	`x`	A	x-y,x,z-1/6	`2_554`	`3`	`2`	`16015`	`14.7`	`0.6`	`0.794`	`0`	`0`	`0`	`0.000`

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

Protein Data Bank
in Europe