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Session Map (id=377-8M-1H8)

Interfaces in PDB 1t3a crystal.
Space symmetry group: P 21 21 2. Resolution: 2.16 Å

CRYSTAL STRUCTURE OF CLOSTRIDIUM BOTULINUM NEUROTOXIN TYPE E CATALYTIC DOMAIN

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	`129`	`40`	`18707`	`◊`	A	x,y,z	`1_555`	`138`	`44`	`18525`	`1189.0`	`-10.3`	`0.274`	`7`	`3`	`0`	`0.014`
2	`2`		A	`112`	`29`	`18525`	`◊`	B	-x+3/2,y-1/2,-z+1	`3_646`	`84`	`23`	`18707`	`938.5`	`-10.7`	`0.145`	`2`	`0`	`0`	`0.000`
3	`3`		A	`74`	`20`	`18525`	`◊`	B	-x+3/2,y-1/2,-z	`3_645`	`100`	`31`	`18707`	`837.3`	`-6.0`	`0.307`	`6`	`0`	`0`	`0.000`
4	`4`		A	`75`	`23`	`18525`	`◊`	A	-x+1,-y,z	`2_655`	`74`	`22`	`18525`	`553.4`	`3.2`	`0.904`	`10`	`0`	`0`	`0.000`
5	`5`		A	`22`	`8`	`18525`	`◊`	A	-x+2,-y,z	`2_755`	`21`	`8`	`18525`	`197.5`	`1.1`	`0.795`	`2`	`0`	`0`	`0.000`
6	`6`		B	`14`	`3`	`18707`	`◊`	A	x-1/2,-y+1/2,-z+1	`4_456`	`15`	`6`	`18525`	`167.0`	`-4.4`	`0.034`	`1`	`0`	`0`	`0.000`
7	`7`		A	`18`	`5`	`18525`	`x`	A	-x+3/2,y-1/2,-z	`3_645`	`17`	`5`	`18525`	`165.3`	`-0.2`	`0.541`	`0`	`0`	`0`	`0.000`
8	`8`		B	`19`	`6`	`18707`	`◊`	A	-x+1,-y,z	`2_655`	`16`	`5`	`18525`	`147.0`	`-0.1`	`0.612`	`0`	`0`	`0`	`0.000`
9	`9`		[CL]A:501	`1`	`1`	`125`	`f`	A	x,y,z	`1_555`	`15`	`7`	`18525`	`70.0`	`-10.6`	`0.000`	`0`	`0`	`0`	`0.022`
10	`10`		[ZN]A:422	`1`	`1`	`98`	`f`	A	x,y,z	`1_555`	`7`	`5`	`18525`	`51.4`	`-38.2`	`0.000`	`0`	`0`	`0`	`0.100`
	`11`		[ZN]B:422	`1`	`1`	`98`	`f`	B	x,y,z	`1_555`	`8`	`5`	`18707`	`50.5`	`-36.5`	`0.000`	`0`	`0`	`0`	`0.100`
	*Average:*													`50.9`	`-37.4`	`0.000`	`0`	`0`	`0`	`0.100`

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

Protein Data Bank
in Europe