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Interfaces in PDB 5ti2 crystal.
Space symmetry group: P 21 21 21. Resolution: 1.65 Å

CRYSTAL STRUCTURE OF THE FIRST BROMODOMAIN OF HUMAN BRD4 IN COMPLEX WITH INHIBITOR 7635936

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	`43`	`13`	`7614`	`x`	A	-x+3,y-1/2,-z+1/2	`3_845`	`43`	`11`	`7614`	`394.1`	`-1.5`	`0.644`	`5`	`0`	`0`	`0.000`
`2`		[7CJ]A:201	`22`	`1`	`505`	`f`	A	x,y,z	`1_555`	`38`	`14`	`7614`	`325.3`	`-3.5`	`0.307`	`2`	`0`	`0`	`0.000`
`3`		A	`31`	`10`	`7614`	`x`	A	x-1/2,-y+1/2,-z	`4_455`	`34`	`9`	`7614`	`266.1`	`-0.9`	`0.419`	`1`	`1`	`0`	`0.000`
`4`		A	`22`	`6`	`7614`	`x`	A	x-1/2,-y-1/2,-z	`4_445`	`30`	`9`	`7614`	`241.0`	`-3.0`	`0.350`	`1`	`0`	`0`	`0.000`
`5`		A	`20`	`6`	`7614`	`x`	A	-x+5/2,-y,z-1/2	`2_754`	`20`	`5`	`7614`	`211.2`	`-1.3`	`0.497`	`0`	`2`	`0`	`0.000`
`6`		A	`13`	`5`	`7614`	`x`	A	x,y-1,z	`1_545`	`16`	`6`	`7614`	`134.7`	`-2.6`	`0.152`	`0`	`0`	`0`	`0.000`
`7`		[EDO]A:203	`4`	`1`	`186`	`f`	A	x,y,z	`1_555`	`27`	`9`	`7614`	`125.0`	`3.6`	`0.679`	`1`	`0`	`0`	`0.000`
`8`		[EDO]A:202	`4`	`1`	`183`	`f`	A	x,y,z	`1_555`	`14`	`8`	`7614`	`99.7`	`2.7`	`0.475`	`1`	`0`	`0`	`0.000`
`9`		[EDO]A:204	`4`	`1`	`185`	`◊`	A	x,y,z	`1_555`	`13`	`4`	`7614`	`88.4`	`3.3`	`0.567`	`1`	`0`	`0`	`0.000`
`10`		[7CJ]A:201	`10`	`1`	`505`	`◊`	A	x-1/2,-y-1/2,-z	`4_445`	`10`	`3`	`7614`	`75.9`	`-3.1`	`0.263`	`0`	`0`	`0`	`0.000`
`11`		[EDO]A:204	`4`	`1`	`185`	`f`	A	x-1/2,-y+1/2,-z	`4_455`	`9`	`3`	`7614`	`67.2`	`0.8`	`0.576`	`0`	`0`	`0`	`0.000`
`12`		[7CJ]A:201	`2`	`1`	`505`	`◊`	A	-x+5/2,-y,z-1/2	`2_754`	`2`	`1`	`7614`	`11.8`	`0.3`	`0.724`	`0`	`0`	`0`	`0.000`

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

Protein Data Bank
in Europe