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Interfaces in PDB 2dfp crystal.
Space symmetry group: P 31 2 1. Resolution: 2.30 Å

X-RAY STRUCTURE OF AGED DI-ISOPROPYL-PHOSPHORO-FLUORIDATE (DFP) BOUND TO ACETYLCHOLINESTERASE

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	`100`	`23`	`20708`	`◊`	A	y,x,-z+1	`4_556`	`99`	`23`	`20708`	`981.9`	`-12.5`	`0.057`	`14`	`10`	`0`	`0.000`
`2`		A	`102`	`32`	`20708`	`x`	A	-y+1,x-y+1,z+1/3	`2_665`	`91`	`23`	`20708`	`869.1`	`-0.0`	`0.716`	`7`	`3`	`0`	`0.000`
`3`		[MES]A:4001	`12`	`1`	`346`	`◊`	A	x,y,z	`1_555`	`29`	`12`	`20708`	`200.1`	`4.9`	`0.214`	`0`	`0`	`0`	`0.000`
`4`		[NAG]A:3002	`8`	`1`	`365`	`cf`	A	x,y,z	`1_555`	`12`	`4`	`20708`	`98.1`	`3.0`	`0.490`	`0`	`0`	`0`	`0.000`
`5`		[NAG]A:3001	`10`	`1`	`363`	`cf`	A	x,y,z	`1_555`	`10`	`4`	`20708`	`89.2`	`2.3`	`0.324`	`0`	`0`	`0`	`0.000`
`6`		[NAG]A:3004	`7`	`1`	`362`	`cf`	A	x,y,z	`1_555`	`8`	`3`	`20708`	`84.1`	`2.8`	`0.559`	`1`	`0`	`0`	`0.000`
`7`		[NAG]A:3005	`9`	`1`	`366`	`cf`	[NAG]A:3004	x,y,z	`1_555`	`6`	`1`	`362`	`75.4`	`1.7`	`0.096`	`2`	`0`	`0`	`0.000`
`8`		[NAG]A:3003	`8`	`1`	`365`	`cf`	[NAG]A:3002	x,y,z	`1_555`	`5`	`1`	`365`	`70.2`	`1.8`	`0.129`	`0`	`0`	`0`	`0.000`
`9`		[MES]A:4001	`2`	`1`	`346`	`f`	A	y,x,-z+1	`4_556`	`4`	`2`	`20708`	`25.0`	`0.5`	`0.305`	`0`	`0`	`0`	`0.000`
`10`		A	`2`	`1`	`20708`	`◊`	[NAG]A:3002	-y+1,x-y+1,z+1/3	`2_665`	`2`	`1`	`365`	`19.5`	`0.0`	`0.213`	`0`	`0`	`0`	`0.000`
`11`		A	`3`	`2`	`20708`	`◊`	A	x-y+1,-y+2,-z+2/3	`5_675`	`3`	`2`	`20708`	`13.2`	`0.1`	`0.683`	`0`	`0`	`0`	`0.000`

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

Protein Data Bank
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