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Session Map (id=166-HO-94M)

Interfaces in PDB 6yqp crystal.
Space symmetry group: P 21 21 21. Resolution: 1.25 Å

CRYSTAL STRUCTURE OF THE FIRST BROMODOMAIN OF HUMAN BRD4 IN COMPLEX WITH THE DUAL INHIBITOR TW22

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`		[P8N]A:204	`33`	`1`	`729`	`f`	A	x,y,z	`1_555`	`47`	`16`	`7473`	`386.9`	`-6.4`	`0.314`	`0`	`0`	`0`	`0.285`
`2`		A	`40`	`13`	`7473`	`x`	A	-x+2,y-1/2,-z+1/2	`3_745`	`35`	`11`	`7473`	`348.0`	`-3.7`	`0.475`	`3`	`0`	`0`	`0.000`
`3`		A	`35`	`11`	`7473`	`x`	A	x-1/2,-y+3/2,-z	`4_465`	`41`	`13`	`7473`	`285.7`	`-1.5`	`0.551`	`1`	`1`	`0`	`0.000`
`4`		A	`20`	`3`	`7473`	`x`	A	x-1/2,-y+1/2,-z	`4_455`	`27`	`10`	`7473`	`224.7`	`-3.2`	`0.394`	`3`	`0`	`0`	`0.000`
`5`		A	`22`	`6`	`7473`	`x`	A	-x+3/2,-y+1,z-1/2	`2_664`	`20`	`5`	`7473`	`187.2`	`-1.1`	`0.620`	`2`	`2`	`0`	`0.000`
`6`		A	`14`	`5`	`7473`	`x`	A	x,y-1,z	`1_545`	`20`	`7`	`7473`	`158.2`	`-0.5`	`0.512`	`0`	`2`	`0`	`0.000`
`7`		[P8N]A:204	`15`	`1`	`729`	`◊`	A	x-1/2,-y+1/2,-z	`4_455`	`16`	`5`	`7473`	`153.1`	`-2.5`	`0.407`	`0`	`0`	`0`	`0.000`
`8`		[EDO]A:202	`4`	`1`	`184`	`f`	A	x,y,z	`1_555`	`24`	`9`	`7473`	`117.6`	`3.5`	`0.511`	`3`	`0`	`0`	`0.000`
`9`		[EDO]A:201	`4`	`1`	`184`	`f`	A	x,y,z	`1_555`	`14`	`8`	`7473`	`101.1`	`2.8`	`0.505`	`5`	`0`	`0`	`0.000`
`10`		[P8N]A:204	`7`	`1`	`729`	`◊`	A	-x+3/2,-y+1,z-1/2	`2_664`	`13`	`5`	`7473`	`97.8`	`-3.1`	`0.330`	`2`	`0`	`0`	`0.000`
`11`		[EDO]A:203	`4`	`1`	`185`	`◊`	A	x,y,z	`1_555`	`10`	`5`	`7473`	`85.8`	`1.8`	`0.277`	`0`	`0`	`0`	`0.000`
`12`		[EDO]A:203	`4`	`1`	`185`	`f`	A	x-1/2,-y+3/2,-z	`4_465`	`12`	`6`	`7473`	`70.6`	`1.9`	`0.303`	`1`	`0`	`0`	`0.000`

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

Protein Data Bank
in Europe