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Interfaces in PDB 1me4 crystal.
Space symmetry group: P 1 21 1. Resolution: 1.20 Å

HIGH RESOLUTION CRYSTAL STRUCTURE ANALYSIS OF CRUZAIN NON-COVALENTLY BOUND TO A HYDROXYMETHYL KETONE INHIBITOR (I)

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	`51`	`18`	`9186`	`x`	A	-x+1,y-1/2,-z+1	`2_646`	`45`	`13`	`9186`	`432.5`	`-2.8`	`0.566`	`5`	`0`	`0`	`0.000`
`2`		A	`40`	`15`	`9186`	`x`	A	x,y,z-1	`1_554`	`47`	`17`	`9186`	`430.9`	`-3.2`	`0.472`	`6`	`0`	`0`	`0.000`
`3`		[T10]A:300	`33`	`1`	`753`	`f`	A	x,y,z	`1_555`	`59`	`23`	`9186`	`415.4`	`-2.1`	`0.587`	`8`	`0`	`0`	`0.100`
`4`		A	`39`	`14`	`9186`	`x`	A	-x,y-1/2,-z	`2_545`	`40`	`13`	`9186`	`373.6`	`-2.4`	`0.452`	`4`	`2`	`0`	`0.000`
`5`		A	`31`	`12`	`9186`	`x`	A	-x+1,y-1/2,-z	`2_645`	`26`	`10`	`9186`	`293.3`	`-6.2`	`0.057`	`0`	`0`	`0`	`0.000`
`6`		A	`11`	`4`	`9186`	`◊`	[T10]A:300	-x,y-1/2,-z	`2_545`	`9`	`1`	`753`	`106.4`	`-2.5`	`0.320`	`0`	`0`	`0`	`0.000`
`7`		A	`1`	`1`	`9186`	`x`	A	x-1,y,z	`1_455`	`1`	`1`	`9186`	`0.2`	`0.0`	`0.639`	`0`	`0`	`0`	`0.000`

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

Protein Data Bank
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