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Interfaces in PDB 4nuc crystal.
Space symmetry group: P 21 21 21. Resolution: 1.40 Å

CRYSTAL STRUCTURE OF THE FIRST BROMODOMAIN OF HUMAN BRD4 IN COMPLEX WITH MS435 INHIBITOR

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	`62`	`20`	`7636`	`x`	A	x-1/2,-y+1/2,-z-1	`3_454`	`62`	`18`	`7636`	`548.6`	`-0.9`	`0.668`	`6`	`3`	`0`	`0.000`
`2`		A	`39`	`10`	`7636`	`x`	A	-x,y-1/2,-z-1/2	`4_544`	`43`	`11`	`7636`	`376.5`	`-0.8`	`0.465`	`3`	`2`	`0`	`0.000`
`3`		[435]A:201	`27`	`1`	`599`	`f`	A	x,y,z	`1_555`	`41`	`13`	`7636`	`341.1`	`0.7`	`0.387`	`2`	`0`	`0`	`0.000`
`4`		A	`20`	`6`	`7636`	`x`	A	x-1,y,z	`1_455`	`22`	`8`	`7636`	`166.5`	`-3.0`	`0.172`	`1`	`0`	`0`	`0.000`
`5`		A	`22`	`8`	`7636`	`x`	A	x-1/2,-y+1/2,-z	`3_455`	`21`	`7`	`7636`	`165.5`	`-0.2`	`0.642`	`0`	`1`	`0`	`0.000`
`6`		A	`15`	`6`	`7636`	`x`	A	-x-1/2,-y,z-1/2	`2_454`	`21`	`7`	`7636`	`132.1`	`0.4`	`0.707`	`0`	`0`	`0`	`0.000`
`7`		A	`16`	`5`	`7636`	`◊`	[435]A:201	-x-1/2,-y,z-1/2	`2_454`	`11`	`1`	`599`	`124.2`	`1.7`	`0.573`	`2`	`0`	`0`	`0.000`
`8`		[EDO]A:202	`4`	`1`	`184`	`f`	A	x,y,z	`1_555`	`14`	`8`	`7636`	`99.4`	`2.6`	`0.469`	`5`	`0`	`0`	`0.000`
`9`		A	`2`	`2`	`7636`	`x`	A	-x-1,y-1/2,-z-1/2	`4_444`	`2`	`2`	`7636`	`5.7`	`-0.0`	`0.591`	`0`	`0`	`0`	`0.000`

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

Protein Data Bank
in Europe