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Interfaces in PDB 3aj6 crystal.
Space symmetry group: C 1 2 1. Resolution: 1.48 Å

HA1 (HA33) MUTANT F179I OF BOTULINUM TYPE C PROGENITOR TOXIN COMPLEXED WITH N-ACETYLGALACTOSAMINE, BOUND AT SITE II

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	`130`	`31`	`12834`	`◊`	A	x,y,z	`1_555`	`126`	`31`	`12688`	`1161.2`	`-9.8`	`0.091`	`10`	`0`	`0`	`1.000`
`2`		B	`81`	`28`	`12834`	`◊`	B	-x+1,y,-z	`2_655`	`81`	`28`	`12834`	`748.9`	`0.1`	`0.580`	`12`	`0`	`0`	`0.000`
`3`		A	`68`	`21`	`12688`	`◊`	B	-x+1/2,y-1/2,-z	`4_545`	`74`	`27`	`12834`	`652.4`	`-4.6`	`0.156`	`6`	`3`	`0`	`0.000`
`4`		A	`45`	`17`	`12688`	`x`	A	-x+1/2,y-1/2,-z+1	`4_546`	`41`	`13`	`12688`	`391.6`	`1.8`	`0.689`	`4`	`0`	`0`	`0.000`
`5`		A	`35`	`12`	`12688`	`◊`	B	x-1/2,y+1/2,z	`3_455`	`27`	`8`	`12834`	`284.3`	`-0.8`	`0.451`	`2`	`2`	`0`	`0.000`
`6`		B	`29`	`8`	`12834`	`◊`	A	-x+1/2,y-1/2,-z	`4_545`	`23`	`10`	`12688`	`247.8`	`-1.5`	`0.306`	`1`	`1`	`0`	`0.000`
`7`		A	`29`	`8`	`12688`	`◊`	B	x-1/2,y-1/2,z	`3_445`	`19`	`6`	`12834`	`226.3`	`1.0`	`0.678`	`5`	`0`	`0`	`0.000`
`8`		[NGA]B:2000	`15`	`1`	`370`	`◊`	B	x,y,z	`1_555`	`28`	`11`	`12834`	`194.3`	`3.0`	`0.225`	`6`	`0`	`0`	`0.000`
`9`		B	`14`	`4`	`12834`	`◊`	A	-x+1,y,-z+1	`2_656`	`14`	`4`	`12688`	`138.0`	`-0.4`	`0.449`	`1`	`0`	`0`	`0.000`
`10`		B	`4`	`2`	`12834`	`◊`	B	-x+1,y,-z+1	`2_656`	`4`	`2`	`12834`	`60.0`	`1.5`	`0.926`	`3`	`0`	`0`	`0.000`
`11`		A	`7`	`3`	`12688`	`x`	A	-x+1/2,y-1/2,-z	`4_545`	`4`	`3`	`12688`	`37.1`	`0.2`	`0.506`	`0`	`0`	`0`	`0.000`
`12`		A	`3`	`2`	`12688`	`f`	[NGA]B:2000	x-1/2,y-1/2,z	`3_445`	`1`	`1`	`370`	`15.9`	`0.2`	`0.441`	`0`	`0`	`0`	`0.000`

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

Protein Data Bank
in Europe