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Session Map (id=333-9O-5CO)

Interfaces in PDB 6xcc crystal.
Space symmetry group: P 1 21 1. Resolution: 1.90 Å

STRUCTURE OF THE C. BOTULINUM NEUROTOXIN SEROTYPE A LIGHT CHAIN PROTEASE IN COMPLEX WITH COVALENT INHIBITOR 21

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`	`24`	`18942`	`x`	A	-x+1,y-1/2,-z	`2_645`	`66`	`17`	`18942`	`658.5`	`-4.6`	`0.355`	`7`	`6`	`0`	`0.000`
`2`		A	`58`	`22`	`18942`	`x`	A	-x+1,y-1/2,-z+1	`2_646`	`59`	`17`	`18942`	`559.8`	`-3.4`	`0.481`	`7`	`2`	`0`	`0.000`
`3`		A	`31`	`9`	`18942`	`x`	A	x-1,y,z	`1_455`	`32`	`8`	`18942`	`271.0`	`0.6`	`0.732`	`3`	`0`	`0`	`0.000`
`4`		A	`24`	`9`	`18942`	`x`	A	-x,y-1/2,-z	`2_545`	`25`	`10`	`18942`	`237.1`	`0.8`	`0.740`	`2`	`2`	`0`	`0.000`
`5`		[UZV]A:502	`9`	`1`	`305`	`f`	A	x,y,z	`1_555`	`29`	`10`	`18942`	`179.1`	`-3.7`	`0.552`	`4`	`0`	`0`	`0.012`
`6`		A	`10`	`3`	`18942`	`x`	A	-x,y-1/2,-z+1	`2_546`	`12`	`5`	`18942`	`94.7`	`-0.4`	`0.561`	`1`	`0`	`0`	`0.000`
`7`		A	`7`	`3`	`18942`	`x`	A	x,y-1,z	`1_545`	`6`	`2`	`18942`	`52.8`	`-0.2`	`0.570`	`0`	`0`	`0`	`0.000`
`8`		[ZN]A:501	`1`	`1`	`98`	`f`	A	x,y,z	`1_555`	`9`	`5`	`18942`	`36.1`	`-24.5`	`0.000`	`0`	`0`	`0`	`0.055`
`9`		[UZV]A:502	`6`	`1`	`305`	`f`	[ZN]A:501	x,y,z	`1_555`	`1`	`1`	`98`	`32.2`	`-14.3`	`0.000`	`0`	`0`	`0`	`0.032`

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

Protein Data Bank
in Europe