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Interfaces in PDB 5wa5 crystal.
Space symmetry group: P 21 21 21. Resolution: 1.17 Å

CRYSTAL STRUCTURE OF THE FIRST BROMODOMAIN OF HUMAN BRD4 IN COMPLEX WITH THE INHIBITOR XMD11-50

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	`38`	`9`	`7530`	`x`	A	-x,y-1/2,-z-1/2	`3_544`	`46`	`12`	`7530`	`398.1`	`0.2`	`0.491`	`1`	`3`	`0`	`0.000`
`2`		[4K4]A:201	`31`	`1`	`845`	`f`	A	x,y,z	`1_555`	`45`	`15`	`7530`	`382.5`	`-6.2`	`0.319`	`1`	`0`	`0`	`0.280`
`3`		A	`41`	`13`	`7530`	`x`	A	x-1/2,-y+1/2,-z-1	`4_454`	`38`	`10`	`7530`	`339.9`	`-3.0`	`0.452`	`1`	`0`	`0`	`0.000`
`4`		A	`12`	`5`	`7530`	`x`	A	x-1,y,z	`1_455`	`13`	`5`	`7530`	`135.0`	`0.0`	`0.665`	`2`	`0`	`0`	`0.000`
`5`		[EDO]A:203	`4`	`1`	`184`	`f`	A	x,y,z	`1_555`	`18`	`7`	`7530`	`116.4`	`3.3`	`0.478`	`3`	`0`	`0`	`0.000`
`6`		A	`14`	`4`	`7530`	`◊`	[4K4]A:201	-x-1/2,-y,z-1/2	`2_454`	`12`	`1`	`845`	`99.5`	`-1.0`	`0.751`	`0`	`0`	`0`	`0.000`
`7`		[EDO]A:202	`4`	`1`	`183`	`f`	A	x,y,z	`1_555`	`14`	`8`	`7530`	`99.3`	`2.7`	`0.474`	`1`	`0`	`0`	`0.000`
`8`		A	`12`	`5`	`7530`	`x`	A	x-1/2,-y+1/2,-z	`4_455`	`10`	`4`	`7530`	`74.1`	`0.3`	`0.685`	`0`	`0`	`0`	`0.000`
`9`		A	`2`	`1`	`7530`	`x`	A	-x-1/2,-y,z-1/2	`2_454`	`3`	`2`	`7530`	`3.6`	`-0.0`	`0.611`	`0`	`0`	`0`	`0.000`
`10`		A	`1`	`1`	`7530`	`x`	A	-x-1,y-1/2,-z-1/2	`3_444`	`1`	`1`	`7530`	`1.7`	`-0.0`	`0.603`	`0`	`0`	`0`	`0.000`

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

Protein Data Bank
in Europe