PDBe < PISA < EMBL-EBI

PISA Interface List.

Session Map (id=319-D0-GG9)

Interfaces in PDB 2wrm crystal.
Space symmetry group: P 21 21 2. Resolution: 1.95 Å

IDENTIFICATION OF NOVEL ALLOSTERIC INHIBITORS OF HEPATITIS C VIRUS NS5B POLYMERASE THUMB DOMAIN (SITE II) BY STRUCTURE-BASED DESIGN

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	`130`	`34`	`23405`	`◊`	A	-x+1,-y+1,z	`2_665`	`131`	`34`	`23405`	`1274.2`	`-4.2`	`0.583`	`20`	`0`	`0`	`0.048`
`2`		A	`46`	`13`	`23405`	`x`	A	x-1/2,-y+1/2,-z	`4_455`	`45`	`11`	`23405`	`432.0`	`1.2`	`0.772`	`4`	`4`	`0`	`0.000`
`3`		A	`40`	`16`	`23405`	`◊`	A	-x,-y+1,z	`2_565`	`39`	`16`	`23405`	`304.2`	`-1.6`	`0.532`	`4`	`0`	`0`	`0.000`
`4`		[QQ3]A:1532	`23`	`1`	`507`	`f`	A	x,y,z	`1_555`	`39`	`13`	`23405`	`292.7`	`-1.7`	`0.180`	`0`	`0`	`0`	`0.024`
`5`		[QQ3]A:1533	`21`	`1`	`505`	`f`	A	x,y,z	`1_555`	`29`	`10`	`23405`	`238.2`	`-2.9`	`0.287`	`3`	`0`	`0`	`0.060`
`6`		A	`23`	`9`	`23405`	`x`	A	x-1/2,-y+1/2,-z+1	`4_456`	`27`	`9`	`23405`	`228.3`	`-0.5`	`0.556`	`2`	`0`	`0`	`0.000`
`7`		A	`21`	`7`	`23405`	`x`	A	-x+1/2,y-1/2,-z+1	`3_546`	`33`	`8`	`23405`	`213.0`	`-1.1`	`0.447`	`2`	`0`	`0`	`0.000`
`8`		[QQ3]A:1534	`11`	`1`	`475`	`f`	A	x,y,z	`1_555`	`17`	`6`	`23405`	`128.8`	`-0.4`	`0.393`	`1`	`0`	`0`	`0.011`
`9`		A	`11`	`5`	`23405`	`◊`	A	-x+1,-y,z	`2_655`	`11`	`5`	`23405`	`115.2`	`-0.7`	`0.490`	`0`	`0`	`0`	`0.000`
`10`		[QQ3]A:1534	`16`	`1`	`475`	`f`	[QQ3]A:1533	x,y,z	`1_555`	`18`	`1`	`505`	`112.9`	`-0.3`	`0.312`	`0`	`0`	`0`	`0.005`
`11`		[QQ3]A:1533	`7`	`1`	`505`	`◊`	A	x-1/2,-y+1/2,-z	`4_455`	`10`	`3`	`23405`	`75.1`	`1.9`	`0.767`	`0`	`0`	`0`	`0.000`
`12`		[QQ3]A:1532	`6`	`1`	`507`	`◊`	A	-x+1,-y,z	`2_655`	`1`	`1`	`23405`	`6.9`	`0.3`	`0.646`	`0`	`0`	`0`	`0.000`

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

Protein Data Bank
in Europe