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Session Map (id=127-DN-452)

Interfaces in PDB 6vh1 crystal.
Space symmetry group: P 21 21 21. Resolution: 2.30 Å

2.30 A RESOLUTION STRUCTURE OF MERS 3CL PROTEASE IN COMPLEX WITH INHIBITOR 6H

Interfaces

##			Structure 1				×	Structure 2						interface area, Å²	ΔⁱG kcal/mol	ΔⁱG P-value	N_HB	N_SB	N_DS	CSS
Id	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	`1`		B	`117`	`38`	`13418`	`◊`	A	x,y,z	`1_555`	`114`	`38`	`13130`	`1085.9`	`-16.2`	`0.398`	`16`	`0`	`0`	`0.472`
2	`2`		[QZ7]A:401	`28`	`1`	`648`	`cf`	A	x,y,z	`1_555`	`67`	`23`	`13130`	`404.2`	`-8.6`	`0.577`	`11`	`0`	`0`	`0.530`
	`3`		[QZ7]B:401	`29`	`1`	`647`	`cf`	B	x,y,z	`1_555`	`68`	`22`	`13418`	`401.1`	`-8.7`	`0.548`	`9`	`0`	`0`	`0.530`
	*Average:*													`402.6`	`-8.6`	`0.563`	`10`	`0`	`0`	`0.530`
3	`4`		B	`48`	`15`	`13418`	`◊`	A	x-1/2,-y-1/2,-z	`4_445`	`35`	`13`	`13130`	`364.6`	`-6.0`	`0.292`	`2`	`0`	`0`	`0.000`
4	`5`		B	`35`	`12`	`13418`	`◊`	A	x-1/2,-y+1/2,-z	`4_455`	`33`	`11`	`13130`	`321.4`	`-2.6`	`0.689`	`3`	`0`	`0`	`0.000`
5	`6`		B	`33`	`10`	`13418`	`x`	B	-x+1,y-1/2,-z-1/2	`3_644`	`32`	`15`	`13418`	`294.7`	`-2.0`	`0.731`	`3`	`4`	`0`	`0.000`
6	`7`		A	`29`	`8`	`13130`	`x`	A	x-1/2,-y-1/2,-z	`4_445`	`28`	`8`	`13130`	`251.5`	`-1.6`	`0.736`	`3`	`0`	`0`	`0.000`
7	`8`		B	`17`	`7`	`13418`	`◊`	A	x-1,y,z	`1_455`	`14`	`7`	`13130`	`156.5`	`-1.6`	`0.448`	`2`	`0`	`0`	`0.000`
8	`9`		A	`5`	`2`	`13130`	`◊`	[QZ7]A:401	x-1/2,-y-1/2,-z	`4_445`	`4`	`1`	`648`	`39.7`	`-0.5`	`0.604`	`0`	`0`	`0`	`0.000`
9	`10`		A	`8`	`3`	`13130`	`x`	A	-x+3/2,-y,z-1/2	`2_654`	`6`	`3`	`13130`	`35.8`	`0.2`	`0.784`	`0`	`0`	`0`	`0.000`
10	`11`		[QZ7]B:401	`1`	`1`	`647`	`◊`	A	x,y,z	`1_555`	`1`	`1`	`13130`	`1.6`	`0.1`	`0.704`	`0`	`0`	`0`	`0.000`

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

Protein Data Bank
in Europe