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PISA Interface List.

Session Map (id=975-9C-2P1)

Interfaces in PDB 4zog crystal.
Space symmetry group: P 21 21 2. Resolution: 2.30 Å

VX-680/MK-0457 BINDS TO HUMAN ABL1 ALSO IN INACTIVE DFG CONFORMATIONS.

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	`85`	`26`	`13603`	`◊`	A	x,y,z	`1_555`	`90`	`22`	`13238`	`783.8`	`-5.9`	`0.473`	`10`	`3`	`0`	`0.000`
2	`2`		B	`59`	`14`	`13603`	`◊`	A	x-1/2,-y+1/2,-z-1	`4_454`	`52`	`13`	`13238`	`518.2`	`-4.0`	`0.418`	`7`	`0`	`0`	`0.000`
3	`3`		A	`53`	`18`	`13238`	`◊`	B	-x-1/2,y-1/2,-z	`3_445`	`40`	`12`	`13603`	`459.4`	`-5.2`	`0.278`	`4`	`1`	`0`	`0.000`
4	`4`		[VX6]B:601	`33`	`1`	`663`	`f`	B	x,y,z	`1_555`	`59`	`23`	`13603`	`440.2`	`-3.9`	`0.177`	`1`	`0`	`0`	`0.100`
	`5`		[VX6]A:601	`33`	`1`	`663`	`f`	A	x,y,z	`1_555`	`57`	`22`	`13238`	`433.8`	`-4.4`	`0.136`	`1`	`0`	`0`	`0.100`
	*Average:*													`437.0`	`-4.1`	`0.156`	`1`	`0`	`0`	`0.100`
5	`6`		A	`41`	`8`	`13238`	`◊`	A	-x,-y,z	`2_555`	`43`	`8`	`13238`	`372.0`	`-0.9`	`0.627`	`0`	`0`	`0`	`0.000`
6	`7`		A	`37`	`9`	`13238`	`x`	A	x,y,z-1	`1_554`	`35`	`9`	`13238`	`315.5`	`-2.0`	`0.489`	`2`	`1`	`0`	`0.000`
7	`8`		B	`28`	`9`	`13603`	`◊`	A	x-1/2,-y+1/2,-z	`4_455`	`23`	`7`	`13238`	`219.7`	`1.3`	`0.830`	`3`	`4`	`0`	`0.000`
8	`9`		[MES]B:602	`11`	`1`	`339`	`◊`	B	x,y,z	`1_555`	`20`	`7`	`13603`	`149.2`	`5.1`	`0.277`	`0`	`0`	`0`	`0.000`
9	`10`		[MES]B:602	`11`	`1`	`339`	`f`	A	x,y,z	`1_555`	`17`	`7`	`13238`	`140.7`	`4.0`	`0.088`	`0`	`0`	`0`	`0.000`
10	`11`		[MXE]A:602	`5`	`1`	`217`	`f`	A	x,y,z	`1_555`	`22`	`7`	`13238`	`121.3`	`2.5`	`0.245`	`1`	`0`	`0`	`0.000`
11	`12`		[MXE]A:603	`5`	`1`	`218`	`f`	A	x,y,z	`1_555`	`12`	`6`	`13238`	`109.6`	`2.9`	`0.254`	`2`	`0`	`0`	`0.000`
12	`13`		A	`19`	`7`	`13238`	`◊`	B	-x-1/2,y-1/2,-z-1	`3_444`	`9`	`5`	`13603`	`93.3`	`2.0`	`0.889`	`0`	`0`	`0`	`0.000`
13	`14`		[MXE]A:604	`5`	`1`	`218`	`f`	A	x,y,z	`1_555`	`14`	`4`	`13238`	`76.2`	`1.4`	`0.129`	`0`	`0`	`0`	`0.000`

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