PDBe < PISA < EMBL-EBI

PISA Interface List.

Session Map (id=767-I5-3J6)

Interfaces in PDB 7ca8 crystal.
Space symmetry group: P 21 21 21. Resolution: 2.45 Å

THE CRYSTAL STRUCTURE OF COVID-19 MAIN PROTEASE IN COMPLEX WITH AN INHIBITOR SHIKONIN

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`		B	`90`	`28`	`12708`	`◊`	A	x,y,z	`1_555`	`92`	`27`	`13756`	`865.9`	`-9.1`	`0.546`	`18`	`5`	`0`	`1.000`
`2`		B	`60`	`17`	`12708`	`◊`	A	-x,y-1/2,-z-1/2	`3_544`	`61`	`20`	`13756`	`548.6`	`-3.0`	`0.768`	`7`	`4`	`0`	`0.000`
`3`		A	`45`	`11`	`13756`	`◊`	B	-x+1/2,-y,z-1/2	`2_554`	`57`	`21`	`12708`	`482.8`	`-2.2`	`0.773`	`7`	`1`	`0`	`0.000`
`4`		A	`36`	`9`	`13756`	`x`	A	x-1,y,z	`1_455`	`42`	`10`	`13756`	`339.3`	`0.7`	`0.852`	`8`	`3`	`0`	`0.000`
`5`		A	`30`	`11`	`13756`	`◊`	B	-x-1/2,-y,z-1/2	`2_454`	`35`	`15`	`12708`	`309.0`	`0.1`	`0.789`	`4`	`0`	`0`	`0.000`
`6`		A	`8`	`3`	`13756`	`◊`	B	x-1/2,-y+1/2,-z	`4_455`	`6`	`2`	`12708`	`58.3`	`-0.8`	`0.465`	`0`	`0`	`0`	`0.000`

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

Protein Data Bank
in Europe