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PISA Interface List.

Session Map (id=996-C3-0IA)

Interfaces in PDB 4msg crystal.
Space symmetry group: P 21 21 21. Resolution: 1.80 Å

CRYSTAL STRUCTURE OF TANKYRASE 1 WITH COMPOUND 22

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	`81`	`27`	`11111`	`◊`	B	x-1,y,z	`1_455`	`82`	`26`	`10676`	`831.3`	`0.2`	`0.710`	`16`	`20`	`0`	`0.000`
2	`2`		B	`72`	`21`	`10676`	`◊`	A	-x+1/2,-y+1,z-1/2	`2_564`	`72`	`21`	`11111`	`701.9`	`-1.1`	`0.649`	`8`	`7`	`0`	`0.000`
3	`3`		[2C6]B:1402	`34`	`1`	`737`	`f`	B	x,y,z	`1_555`	`79`	`25`	`10676`	`518.2`	`-0.9`	`0.243`	`5`	`0`	`0`	`0.100`
	`4`		[2C6]A:1402	`34`	`1`	`728`	`f`	A	x,y,z	`1_555`	`82`	`26`	`11111`	`514.2`	`0.1`	`0.342`	`5`	`0`	`0`	`0.100`
	*Average:*													`516.2`	`-0.4`	`0.292`	`5`	`0`	`0`	`0.100`
4	`5`		B	`52`	`15`	`10676`	`◊`	A	x,y,z	`1_555`	`52`	`13`	`11111`	`434.8`	`-3.3`	`0.415`	`1`	`0`	`0`	`0.000`
5	`6`		A	`21`	`7`	`11111`	`x`	A	-x,y-1/2,-z+1/2	`4_545`	`26`	`8`	`11111`	`255.4`	`-2.1`	`0.409`	`0`	`0`	`0`	`0.000`
6	`7`		A	`19`	`7`	`11111`	`◊`	B	x-1/2,-y+1/2,-z	`3_455`	`22`	`9`	`10676`	`173.5`	`0.2`	`0.536`	`2`	`3`	`0`	`0.000`
7	`8`		A	`3`	`2`	`11111`	`◊`	B	x-1/2,-y+3/2,-z	`3_465`	`4`	`3`	`10676`	`29.8`	`-0.5`	`0.400`	`0`	`0`	`0`	`0.000`
8	`9`		B	`4`	`3`	`10676`	`x`	B	x-1/2,-y+1/2,-z	`3_455`	`3`	`2`	`10676`	`13.4`	`0.1`	`0.640`	`0`	`0`	`0`	`0.000`
9	`10`		B	`2`	`2`	`10676`	`x`	B	x-1/2,-y+3/2,-z	`3_465`	`3`	`2`	`10676`	`7.9`	`0.1`	`0.675`	`0`	`0`	`0`	`0.000`

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