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Interfaces in PDB 2po3 crystal.
Space symmetry group: P 21 21 21. Resolution: 2.10 Å

CRYSTAL STRUCTURE ANALYSIS OF DESI IN THE PRESENCE OF ITS TDP-SUGAR PRODUCT

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	`236`	`61`	`16651`	`◊`	A	x,y,z	`1_555`	`233`	`62`	`16551`	`2216.1`	`-21.5`	`0.024`	`31`	`10`	`0`	`0.488`
2	`2`		B	`65`	`18`	`16651`	`x`	B	x-1/2,-y-1/2,-z	`4_445`	`63`	`19`	`16651`	`610.7`	`0.8`	`0.643`	`7`	`10`	`0`	`0.000`
3	`3`		[T4K]B:2500	`49`	`1`	`920`	`f`	B	x,y,z	`1_555`	`80`	`29`	`16651`	`572.7`	`-7.9`	`0.372`	`8`	`0`	`0`	`0.322`
	`4`		[T4K]A:1500	`47`	`1`	`918`	`f`	A	x,y,z	`1_555`	`75`	`29`	`16551`	`566.5`	`-7.9`	`0.418`	`11`	`0`	`0`	`0.322`
	*Average:*													`569.6`	`-7.9`	`0.395`	`10`	`0`	`0`	`0.322`
4	`5`		A	`51`	`11`	`16551`	`x`	A	-x,y-1/2,-z-1/2	`3_544`	`45`	`10`	`16551`	`384.0`	`1.0`	`0.716`	`2`	`6`	`0`	`0.000`
5	`6`		[T4K]B:2500	`21`	`1`	`920`	`◊`	A	x,y,z	`1_555`	`30`	`10`	`16551`	`215.5`	`-4.2`	`0.531`	`7`	`0`	`0`	`0.190`
	`7`		[T4K]A:1500	`19`	`1`	`918`	`◊`	B	x,y,z	`1_555`	`30`	`10`	`16651`	`213.4`	`-4.3`	`0.499`	`6`	`0`	`0`	`0.190`
	*Average:*													`214.5`	`-4.3`	`0.515`	`7`	`0`	`0`	`0.190`
6	`8`		A	`17`	`5`	`16551`	`◊`	B	x-1,y,z	`1_455`	`21`	`9`	`16651`	`165.1`	`0.4`	`0.645`	`3`	`1`	`0`	`0.000`
7	`9`		A	`12`	`7`	`16551`	`x`	A	x-1,y,z	`1_455`	`11`	`5`	`16551`	`109.1`	`0.2`	`0.614`	`1`	`0`	`0`	`0.000`
8	`10`		A	`10`	`5`	`16551`	`x`	A	-x+1,y-1/2,-z-1/2	`3_644`	`10`	`5`	`16551`	`55.9`	`-0.3`	`0.489`	`0`	`0`	`0`	`0.000`
9	`11`		B	`2`	`2`	`16651`	`x`	B	x-1,y,z	`1_455`	`2`	`1`	`16651`	`8.7`	`0.0`	`0.594`	`0`	`0`	`0`	`0.000`

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

Protein Data Bank
in Europe