PDBe < PISA < EMBL-EBI

PISA Interface List.

Session Map (id=452-9C-36A)

Interfaces in PDB 4z3v crystal.
Space symmetry group: P 21 21 2. Resolution: 1.60 Å

FRAGMENT-BASED DISCOVERY OF A SMALL MOLECULE REVERSIBLE INHIBITOR OF BRUTON'S TYROSINE KINASE

Interfaces

##		Structure 1				×	Structure 2						interface area, Å²	ΔⁱG kcal/mol	ΔⁱG P-value	N_HB	N_SB	N_DS	CSS
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`		A	`77`	`18`	`13465`	`x`	A	x,y,z-1	`1_554`	`92`	`28`	`13465`	`757.1`	`0.4`	`0.698`	`13`	`5`	`0`	`0.000`
`2`		A	`46`	`11`	`13465`	`x`	A	-x-1/2,y-1/2,-z	`3_445`	`48`	`12`	`13465`	`420.7`	`-3.3`	`0.355`	`1`	`0`	`0`	`0.000`
`3`		[4L6]A:705	`24`	`1`	`500`	`f`	A	x,y,z	`1_555`	`48`	`22`	`13465`	`367.2`	`3.3`	`0.452`	`6`	`0`	`0`	`0.000`
`4`		A	`36`	`12`	`13465`	`x`	A	x-1/2,-y-1/2,-z	`4_445`	`38`	`14`	`13465`	`344.3`	`-0.5`	`0.585`	`4`	`6`	`0`	`0.000`
`5`		A	`38`	`10`	`13465`	`x`	A	-x-1/2,y-1/2,-z+1	`3_446`	`28`	`9`	`13465`	`315.2`	`-3.0`	`0.269`	`4`	`0`	`0`	`0.000`
`6`		[EDO]A:704	`4`	`1`	`187`	`◊`	A	x,y,z	`1_555`	`24`	`9`	`13465`	`118.7`	`3.8`	`0.645`	`3`	`0`	`0`	`0.000`
`7`		[IMD]A:702	`5`	`1`	`197`	`f`	A	x,y,z	`1_555`	`24`	`7`	`13465`	`111.1`	`2.6`	`0.288`	`0`	`0`	`0`	`0.000`
`8`		[IMD]A:701	`5`	`1`	`197`	`◊`	A	x-1/2,-y-1/2,-z	`4_445`	`12`	`4`	`13465`	`84.8`	`2.6`	`0.261`	`1`	`0`	`0`	`0.000`
`9`		A	`15`	`4`	`13465`	`◊`	[IPA]A:703	-x-1/2,y-1/2,-z	`3_445`	`3`	`1`	`199`	`83.4`	`2.4`	`0.414`	`0`	`0`	`0`	`0.000`
`10`		[IMD]A:701	`5`	`1`	`197`	`f`	A	x,y,z	`1_555`	`10`	`6`	`13465`	`79.4`	`1.2`	`0.106`	`1`	`0`	`0`	`0.000`
`11`		[IPA]A:703	`4`	`1`	`199`	`f`	A	x,y,z	`1_555`	`8`	`4`	`13465`	`65.2`	`1.8`	`0.239`	`1`	`0`	`0`	`0.000`
`12`		[EDO]A:704	`1`	`1`	`187`	`f`	A	x,y,z-1	`1_554`	`1`	`1`	`13465`	`3.6`	`0.2`	`0.916`	`0`	`0`	`0`	`0.000`

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

Protein Data Bank
in Europe