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Session Map (id=958-G7-A61)

Interfaces in PDB 5up3 crystal.
Space symmetry group: P 65 2 2. Resolution: 2.95 Å

STRUCTURE-BASED DESIGN OF ASK1 INHIBITORS AS POTENTIAL FIRST-IN-CLASS AGENTS FOR HEART FAILURE

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	`114`	`27`	`13007`	`◊`	B	x-y+1,-y+2,-z	`8_675`	`114`	`27`	`13007`	`1000.8`	`-2.0`	`0.712`	`18`	`0`	`0`	`0.000`
2	`2`		A	`109`	`24`	`13144`	`◊`	A	-y,-x,-z+1/6	`10_555`	`109`	`24`	`13144`	`903.2`	`-6.6`	`0.397`	`12`	`0`	`0`	`0.100`
3	`3`		B	`44`	`10`	`13007`	`◊`	A	x,y,z	`1_555`	`49`	`16`	`13144`	`501.7`	`-5.6`	`0.171`	`8`	`4`	`0`	`0.000`
4	`4`		A	`48`	`12`	`13144`	`◊`	B	x-y,-y+1,-z	`8_565`	`45`	`12`	`13007`	`405.6`	`2.8`	`0.859`	`9`	`7`	`0`	`0.000`
5	`5`		[8GS]B:1000	`23`	`1`	`514`	`◊`	B	x,y,z	`1_555`	`50`	`21`	`13007`	`365.7`	`2.8`	`0.413`	`2`	`0`	`0`	`0.000`
	`6`		[8GS]A:1000	`23`	`1`	`509`	`◊`	A	x,y,z	`1_555`	`49`	`21`	`13144`	`363.0`	`2.5`	`0.367`	`1`	`0`	`0`	`0.000`
	*Average:*													`364.3`	`2.7`	`0.390`	`2`	`0`	`0`	`0.000`
6	`7`		A	`30`	`7`	`13144`	`◊`	A	-y+1,-x+1,-z+1/6	`10_665`	`31`	`7`	`13144`	`268.2`	`-0.1`	`0.652`	`4`	`4`	`0`	`0.000`
7	`8`		B	`15`	`6`	`13007`	`◊`	A	x-y,-y+1,-z	`8_565`	`12`	`3`	`13144`	`106.9`	`0.8`	`0.748`	`2`	`0`	`0`	`0.000`
8	`9`		B	`3`	`1`	`13007`	`◊`	A	-y+1,-x+1,-z+1/6	`10_665`	`1`	`1`	`13144`	`14.6`	`0.4`	`0.811`	`0`	`0`	`0`	`0.000`
9	`10`		[8GS]B:1000	`1`	`1`	`514`	`f`	B	x-y+1,-y+2,-z	`8_675`	`1`	`1`	`13007`	`3.7`	`0.1`	`0.478`	`0`	`0`	`0`	`0.000`

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

Protein Data Bank
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