PDBe < PISA < EMBL-EBI

PISA Interface List.

Session Map (id=221-H5-0LL)

Interfaces in PDB 2op9 crystal.
Space symmetry group: P 1 21 1. Resolution: 1.80 Å

SUBSTRATE SPECIFICITY PROFILING AND IDENTIFICATION OF A NEW CLASS OF INHIBITOR FOR THE MAJOR PROTEASE OF THE SARS CORONAVIRUS

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	`128`	`41`	`14168`	`◊`	A	x,y,z	`1_555`	`129`	`40`	`14136`	`1220.0`	`-8.0`	`0.413`	`28`	`8`	`0`	`0.992`
`2`		A	`63`	`25`	`14136`	`◊`	B	x-1,y,z	`1_455`	`60`	`22`	`14168`	`566.3`	`-5.4`	`0.321`	`5`	`5`	`0`	`0.000`
`3`		B	`43`	`13`	`14168`	`x`	B	-x+1,y-1/2,-z+2	`2_647`	`38`	`13`	`14168`	`408.6`	`-0.3`	`0.609`	`8`	`2`	`0`	`0.000`
`4`		[WR1]B:602	`26`	`1`	`638`	`cf`	B	x,y,z	`1_555`	`54`	`21`	`14168`	`379.7`	`1.2`	`0.354`	`4`	`0`	`0`	`0.100`
`5`		[WR1]A:601	`26`	`1`	`607`	`f`	A	x,y,z	`1_555`	`52`	`20`	`14136`	`376.4`	`1.3`	`0.405`	`3`	`0`	`0`	`0.100`
`6`		A	`41`	`11`	`14136`	`x`	A	x,y,z-1	`1_554`	`35`	`8`	`14136`	`343.2`	`-0.6`	`0.640`	`7`	`1`	`0`	`0.000`
`7`		B	`25`	`5`	`14168`	`◊`	A	-x+1,y-1/2,-z+2	`2_647`	`35`	`13`	`14136`	`306.9`	`-3.7`	`0.243`	`1`	`0`	`0`	`0.000`
`8`		B	`21`	`5`	`14168`	`x`	B	-x+1,y-1/2,-z+1	`2_646`	`16`	`6`	`14168`	`158.6`	`0.8`	`0.708`	`4`	`2`	`0`	`0.000`
`9`		A	`14`	`6`	`14136`	`◊`	B	-x+1,y-1/2,-z+2	`2_647`	`16`	`8`	`14168`	`133.3`	`-0.2`	`0.586`	`2`	`0`	`0`	`0.000`
`10`		A	`7`	`3`	`14136`	`◊`	B	-x,y-1/2,-z+1	`2_546`	`6`	`3`	`14168`	`62.5`	`-1.1`	`0.278`	`0`	`0`	`0`	`0.000`
`11`		[WR1]A:601	`3`	`1`	`607`	`◊`	B	-x+1,y-1/2,-z+2	`2_647`	`2`	`1`	`14168`	`34.9`	`1.7`	`0.707`	`0`	`0`	`0`	`0.000`
`12`		[WR1]B:602	`4`	`1`	`638`	`◊`	A	x,y,z	`1_555`	`2`	`1`	`14136`	`29.0`	`0.5`	`0.564`	`0`	`0`	`0`	`0.000`

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

Protein Data Bank
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