PDBe < PISA < EMBL-EBI

PISA Interface List.

Session Map (id=775-9F-H4J)

Interfaces in PDB 6w79 crystal.
Space symmetry group: C 1 2 1. Resolution: 1.46 Å

STRUCTURE OF SARS-COV MAIN PROTEASE BOUND TO POTENT BROAD-SPECTRUM NON-COVALENT INHIBITOR X77

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	`123`	`37`	`14684`	`◊`	A	-x,y,-z+1	`2_556`	`122`	`37`	`14684`	`1212.9`	`-8.7`	`0.410`	`30`	`4`	`0`	`0.625`
`2`		A	`54`	`11`	`14684`	`x`	A	x-1/2,y+1/2,z	`3_455`	`49`	`12`	`14684`	`466.8`	`0.8`	`0.789`	`9`	`3`	`0`	`0.000`
`3`		[X77]A:402	`29`	`1`	`660`	`f`	A	x,y,z	`1_555`	`58`	`22`	`14684`	`413.8`	`-8.9`	`0.300`	`3`	`0`	`0`	`0.567`
`4`		A	`32`	`13`	`14684`	`◊`	A	-x,y,-z	`2_555`	`33`	`13`	`14684`	`328.7`	`-6.4`	`0.101`	`2`	`4`	`0`	`0.000`
`5`		[MES]A:403	`11`	`1`	`338`	`◊`	A	x,y,z	`1_555`	`22`	`8`	`14684`	`145.4`	`2.7`	`0.093`	`0`	`0`	`0`	`0.000`
`6`		A	`10`	`4`	`14684`	`◊`	[MES]A:404	x-1/2,y+1/2,z	`3_455`	`8`	`1`	`339`	`108.0`	`3.0`	`0.147`	`0`	`0`	`0`	`0.000`
`7`		[MES]A:404	`9`	`1`	`339`	`f`	A	x,y,z	`1_555`	`13`	`4`	`14684`	`97.8`	`2.2`	`0.054`	`0`	`0`	`0`	`0.000`
`8`		[DMS]A:401	`4`	`1`	`211`	`◊`	A	x,y,z	`1_555`	`15`	`6`	`14684`	`82.7`	`1.8`	`0.383`	`0`	`0`	`0`	`0.000`
`9`		[MES]A:403	`3`	`1`	`338`	`f`	A	-x,y,-z	`2_555`	`5`	`2`	`14684`	`27.3`	`0.4`	`0.140`	`0`	`0`	`0`	`0.000`
`10`		[MES]A:403	`2`	`1`	`338`	`f`	[DMS]A:401	x,y,z	`1_555`	`1`	`1`	`211`	`16.5`	`0.9`	`0.270`	`0`	`0`	`0`	`0.000`
`11`		[X77]A:402	`2`	`1`	`660`	`◊`	A	-x,y,-z+1	`2_556`	`1`	`1`	`14684`	`16.0`	`-0.1`	`0.736`	`0`	`0`	`0`	`0.004`

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

Protein Data Bank
in Europe