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PISA Interface List.

Session Map (id=514-LI-2A0)

Interfaces in PDB 3qiz crystal.
Space symmetry group: P 21 21 2. Resolution: 2.00 Å

CRYSTAL STRUCTURE OF BONT/A LC COMPLEXED WITH HYDROXAMATE-BASED INHIBITOR PT-2

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`		[QI2]A:432	`30`	`1`	`667`	`f`	A	x,y,z	`1_555`	`61`	`21`	`18085`	`464.2`	`-6.6`	`0.402`	`6`	`0`	`0`	`0.021`
`2`		A	`44`	`14`	`18085`	`◊`	A	-x-1,-y,z	`2_455`	`43`	`14`	`18085`	`435.4`	`-4.2`	`0.318`	`6`	`0`	`0`	`0.000`
`3`		A	`38`	`15`	`18085`	`x`	A	x,y,z-1	`1_554`	`38`	`16`	`18085`	`312.7`	`-3.1`	`0.384`	`1`	`0`	`0`	`0.000`
`4`		A	`30`	`8`	`18085`	`◊`	A	-x,-y,z	`2_555`	`30`	`8`	`18085`	`266.3`	`-5.7`	`0.093`	`0`	`0`	`0`	`0.000`
`5`		A	`23`	`8`	`18085`	`x`	A	x-1/2,-y+1/2,-z-1	`4_454`	`26`	`7`	`18085`	`192.8`	`-2.3`	`0.323`	`1`	`0`	`0`	`0.000`
`6`		A	`19`	`6`	`18085`	`x`	A	x-1/2,-y+1/2,-z	`4_455`	`20`	`8`	`18085`	`145.7`	`-0.6`	`0.585`	`0`	`2`	`0`	`0.000`
`7`		[PEG]A:700	`7`	`1`	`259`	`f`	A	x,y,z	`1_555`	`19`	`7`	`18085`	`134.1`	`3.9`	`0.445`	`0`	`0`	`0`	`0.000`
`8`		A	`10`	`7`	`18085`	`x`	A	x-1,y,z	`1_455`	`8`	`4`	`18085`	`75.4`	`-1.0`	`0.374`	`0`	`0`	`0`	`0.000`
`9`		[QI2]A:432	`7`	`1`	`667`	`◊`	A	x,y,z-1	`1_554`	`4`	`2`	`18085`	`40.3`	`-0.0`	`0.790`	`0`	`0`	`0`	`0.000`
`10`		[ZN]A:431	`1`	`1`	`98`	`f`	A	x,y,z	`1_555`	`7`	`5`	`18085`	`37.2`	`-26.3`	`0.000`	`0`	`0`	`0`	`0.059`
`11`		[QI2]A:432	`4`	`1`	`667`	`f`	[ZN]A:431	x,y,z	`1_555`	`1`	`1`	`98`	`31.0`	`-13.0`	`0.000`	`0`	`0`	`0`	`0.029`

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