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Interfaces in PDB 5u28 crystal.
Space symmetry group: P 21 21 21. Resolution: 1.80 Å

BRD4 FIRST BROMODOMAIN (BD1) IN COMPLEX WITH DUAL PI3 KINASE INHIBITOR SF2523

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	`67`	`19`	`8200`	`x`	A	-x-1/2,-y,z-1/2	`2_454`	`56`	`13`	`8200`	`543.0`	`-3.4`	`0.434`	`8`	`2`	`0`	`0.000`
`2`		[82V]A:201	`25`	`1`	`552`	`f`	A	x,y,z	`1_555`	`39`	`14`	`8200`	`306.5`	`-5.4`	`0.348`	`2`	`0`	`0`	`0.086`
`3`		A	`20`	`6`	`8200`	`x`	A	-x-1,y-1/2,-z-1/2	`3_444`	`27`	`7`	`8200`	`244.7`	`-3.0`	`0.344`	`0`	`0`	`0`	`0.000`
`4`		A	`21`	`6`	`8200`	`x`	A	-x-3/2,-y,z-1/2	`2_354`	`19`	`5`	`8200`	`164.4`	`-2.6`	`0.356`	`0`	`0`	`0`	`0.000`
`5`		A	`14`	`6`	`8200`	`◊`	[82V]A:201	-x-1/2,-y,z-1/2	`2_454`	`9`	`1`	`552`	`110.5`	`-1.9`	`0.469`	`0`	`0`	`0`	`0.000`
`6`		[PEG]A:202	`6`	`1`	`253`	`◊`	A	x,y,z	`1_555`	`10`	`3`	`8200`	`84.8`	`1.8`	`0.276`	`1`	`0`	`0`	`0.000`
`7`		[SCN]A:203	`3`	`1`	`183`	`◊`	A	x,y,z	`1_555`	`10`	`6`	`8200`	`61.7`	`-1.6`	`0.427`	`0`	`0`	`0`	`0.000`
`8`		A	`15`	`5`	`8200`	`f`	[SCN]A:203	-x-1/2,-y,z-1/2	`2_454`	`3`	`1`	`183`	`61.0`	`-2.3`	`0.541`	`0`	`0`	`0`	`0.032`
`9`		A	`10`	`5`	`8200`	`f`	[PEG]A:202	-x-1/2,-y,z-1/2	`2_454`	`5`	`1`	`253`	`52.9`	`1.3`	`0.290`	`0`	`0`	`0`	`0.000`
`10`		[SCN]A:203	`3`	`1`	`183`	`◊`	[82V]A:201	x,y,z	`1_555`	`9`	`1`	`552`	`46.1`	`-0.9`	`0.757`	`0`	`0`	`0`	`0.000`
`11`		[PEG]A:202	`4`	`1`	`253`	`◊`	[82V]A:201	x,y,z	`1_555`	`2`	`1`	`552`	`39.2`	`1.9`	`0.389`	`0`	`0`	`0`	`0.000`

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

Protein Data Bank
in Europe