PDBe < PISA < EMBL-EBI

PISA Interface List.

Session Map (id=264-PH-2K5)

Interfaces in PDB 3ik3 crystal.
Space symmetry group: P 1 21 1. Resolution: 1.90 Å

AP24534, A PAN-BCR-ABL INHIBITOR FOR CHRONIC MYELOID LEUKEMIA, POTENTLY INHIBITS THE T315I MUTANT AND OVERCOMES MUTATION-BASED RESISTANCE

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`		[0LI]B:2	`39`	`1`	`821`	`f`	B	x,y,z	`1_555`	`84`	`28`	`15082`	`576.5`	`0.1`	`0.245`	`4`	`0`	`0`	`0.100`
	`2`		[0LI]A:1	`39`	`1`	`820`	`f`	A	x,y,z	`1_555`	`81`	`28`	`14781`	`568.8`	`0.0`	`0.262`	`4`	`0`	`0`	`0.100`
	*Average:*													`572.7`	`0.1`	`0.254`	`4`	`0`	`0`	`0.100`
2	`3`		A	`52`	`15`	`14781`	`◊`	B	-x+1,y-1/2,-z	`2_645`	`34`	`8`	`15082`	`389.5`	`-4.0`	`0.307`	`2`	`0`	`0`	`0.000`
3	`4`		A	`35`	`11`	`14781`	`◊`	B	-x+1,y-1/2,-z+1	`2_646`	`43`	`18`	`15082`	`379.3`	`-5.6`	`0.117`	`1`	`0`	`0`	`0.000`
4	`5`		B	`36`	`10`	`15082`	`x`	B	x,y,z-1	`1_554`	`35`	`8`	`15082`	`350.5`	`-2.7`	`0.389`	`6`	`3`	`0`	`0.000`
	`6`		A	`35`	`9`	`14781`	`x`	A	x,y,z-1	`1_554`	`38`	`10`	`14781`	`341.7`	`-2.5`	`0.435`	`7`	`3`	`0`	`0.000`
	*Average:*													`346.1`	`-2.6`	`0.412`	`7`	`3`	`0`	`0.000`
5	`7`		B	`39`	`11`	`15082`	`◊`	A	x,y,z	`1_555`	`39`	`11`	`14781`	`350.0`	`-0.8`	`0.622`	`2`	`0`	`0`	`0.000`
6	`8`		A	`27`	`9`	`14781`	`◊`	B	-x,y-1/2,-z+1	`2_546`	`27`	`8`	`15082`	`187.8`	`0.7`	`0.683`	`1`	`0`	`0`	`0.000`
	`9`		A	`23`	`6`	`14781`	`◊`	B	-x,y-1/2,-z	`2_545`	`23`	`6`	`15082`	`170.3`	`1.4`	`0.787`	`2`	`0`	`0`	`0.000`
	*Average:*													`179.0`	`1.1`	`0.735`	`2`	`0`	`0`	`0.000`
7	`10`		B	`8`	`3`	`15082`	`◊`	A	x,y,z-1	`1_554`	`8`	`3`	`14781`	`83.8`	`-0.4`	`0.546`	`2`	`0`	`0`	`0.000`
8	`11`		B	`9`	`4`	`15082`	`x`	B	x-1,y,z	`1_455`	`4`	`2`	`15082`	`71.3`	`0.7`	`0.785`	`2`	`0`	`0`	`0.000`

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

Protein Data Bank
in Europe