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Interfaces in PDB 6xce crystal.
Space symmetry group: P 1 21 1. Resolution: 2.50 Å

STRUCTURE OF THE C. BOTULINUM NEUROTOXIN SEROTYPE A LIGHT CHAIN PROTEASE IN COMPLEX WITH COVALENT INHIBITOR 53

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	`62`	`23`	`18970`	`x`	A	-x,y-1/2,-z	`2_545`	`73`	`22`	`18970`	`655.4`	`-4.0`	`0.447`	`5`	`1`	`0`	`0.000`
`2`		A	`61`	`21`	`18970`	`x`	A	-x,y-1/2,-z+1	`2_546`	`69`	`19`	`18970`	`621.4`	`-7.2`	`0.219`	`3`	`4`	`0`	`0.000`
`3`		[UZM]A:501	`22`	`1`	`556`	`f`	A	x,y,z	`1_555`	`58`	`20`	`18970`	`385.0`	`-20.3`	`0.489`	`6`	`0`	`0`	`0.100`
`4`		A	`21`	`6`	`18970`	`x`	A	x-1,y,z	`1_455`	`23`	`9`	`18970`	`204.0`	`1.5`	`0.840`	`4`	`0`	`0`	`0.000`
`5`		A	`27`	`9`	`18970`	`x`	A	-x+1,y-1/2,-z+1	`2_646`	`27`	`11`	`18970`	`203.5`	`1.8`	`0.856`	`3`	`2`	`0`	`0.000`
`6`		A	`11`	`3`	`18970`	`x`	A	-x+1,y-1/2,-z	`2_645`	`12`	`5`	`18970`	`97.6`	`-0.4`	`0.579`	`1`	`0`	`0`	`0.000`
`7`		A	`11`	`5`	`18970`	`x`	A	x,y-1,z	`1_545`	`9`	`3`	`18970`	`70.3`	`-0.9`	`0.439`	`0`	`0`	`0`	`0.000`

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

Protein Data Bank
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