PDBe < PISA < EMBL-EBI

PISA Interface List.

Session Map (id=556-08-M35)

Interfaces in PDB 3d62 crystal.
Space symmetry group: P 21 21 2. Resolution: 2.70 Å

DEVELOPMENT OF BROAD-SPECTRUM HALOMETHYL KETONE INHIBITORS AGAINST CORONAVIRUS MAIN PROTEASE 3CLPRO

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	`132`	`40`	`14290`	`◊`	A	-x+1,-y+1,z	`2_665`	`132`	`40`	`14290`	`1230.5`	`-10.3`	`0.358`	`22`	`6`	`0`	`1.000`
`2`		A	`64`	`17`	`14290`	`x`	A	x,y-1,z	`1_545`	`59`	`17`	`14290`	`495.7`	`-6.7`	`0.261`	`2`	`0`	`0`	`0.000`
`3`		A	`43`	`15`	`14290`	`x`	A	-x+3/2,y-1/2,-z+1	`3_646`	`56`	`17`	`14290`	`439.6`	`-6.8`	`0.103`	`0`	`0`	`0`	`0.000`
`4`		A	`37`	`10`	`14290`	`x`	A	x,y-1,z-1	`1_544`	`42`	`11`	`14290`	`349.9`	`-0.1`	`0.688`	`2`	`4`	`0`	`0.000`
`5`		A	`32`	`13`	`14290`	`◊`	A	-x+1,-y,z	`2_655`	`32`	`13`	`14290`	`341.6`	`3.7`	`0.928`	`2`	`0`	`0`	`0.000`
`6`		A	`27`	`12`	`14290`	`x`	A	-x+3/2,y-1/2,-z+2	`3_647`	`26`	`9`	`14290`	`295.5`	`3.7`	`0.845`	`4`	`2`	`0`	`0.000`
`7`		[959]A:350	`15`	`1`	`407`	`cf`	A	x,y,z	`1_555`	`35`	`15`	`14290`	`236.5`	`1.9`	`0.215`	`1`	`0`	`0`	`0.000`
`8`		A	`18`	`5`	`14290`	`x`	A	-x+1,-y+1,z-1	`2_664`	`10`	`5`	`14290`	`131.1`	`-1.2`	`0.386`	`0`	`0`	`0`	`0.000`
`9`		A	`1`	`1`	`14290`	`◊`	[959]A:350	x,y-1,z	`1_545`	`2`	`1`	`407`	`7.6`	`0.1`	`0.272`	`0`	`0`	`0`	`0.000`
`10`		A	`1`	`1`	`14290`	`x`	A	x,y,z-1	`1_554`	`2`	`1`	`14290`	`2.8`	`0.0`	`0.675`	`0`	`0`	`0`	`0.000`

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

Protein Data Bank
in Europe