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Interfaces in PDB 1xll crystal.
Space symmetry group: P 31 2 1. Resolution: 2.50 Å

MECHANISM FOR ALDOSE-KETOSE INTERCONVERSION BY D-XYLOSE ISOMERASE INVOLVING RING OPENING FOLLOWED BY A 1,2-HYDRIDE SHIFT

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	`499`	`121`	`19269`	`◊`	B	y,x,-z	`4_555`	`496`	`121`	`19269`	`4681.4`	`-54.2`	`0.049`	`63`	`16`	`0`	`0.506`
	`2`		A	`490`	`119`	`19131`	`◊`	A	y,x,-z	`4_555`	`489`	`119`	`19131`	`4680.9`	`-54.9`	`0.046`	`52`	`18`	`0`	`0.506`
	*Average:*													`4681.2`	`-54.6`	`0.048`	`58`	`17`	`0`	`0.506`
2	`3`		B	`179`	`45`	`19269`	`◊`	A	y,x,-z	`4_555`	`178`	`44`	`19131`	`1666.3`	`-0.5`	`0.914`	`23`	`16`	`0`	`0.066`
3	`4`		B	`160`	`49`	`19269`	`◊`	A	x,y,z	`1_555`	`154`	`46`	`19131`	`1552.8`	`-13.7`	`0.313`	`17`	`0`	`0`	`0.204`
4	`5`		B	`59`	`17`	`19269`	`◊`	A	-x+1,-x+y,-z+1/3	`6_655`	`67`	`17`	`19131`	`529.9`	`-2.5`	`0.655`	`5`	`3`	`0`	`0.000`
5	`6`		B	`8`	`3`	`19269`	`x`	B	-x+1,-x+y,-z+1/3	`6_655`	`8`	`2`	`19269`	`61.8`	`-0.9`	`0.399`	`0`	`0`	`0`	`0.000`
6	`7`		[ZN]B:398	`1`	`1`	`98`	`f`	B	x,y,z	`1_555`	`7`	`5`	`19269`	`48.8`	`-36.8`	`0.000`	`0`	`0`	`0`	`0.707`
	`8`		[ZN]A:398	`1`	`1`	`98`	`f`	A	x,y,z	`1_555`	`5`	`5`	`19131`	`47.7`	`-36.9`	`0.000`	`0`	`0`	`0`	`0.707`
	*Average:*													`48.3`	`-36.8`	`0.000`	`0`	`0`	`0`	`0.707`
7	`9`		[ZN]A:399	`1`	`1`	`98`	`f`	[ZN]A:398	x,y,z	`1_555`	`1`	`1`	`98`	`5.9`	`-4.7`	`0.000`	`0`	`0`	`0`	`0.058`
8	`10`		[ZN]B:399	`1`	`1`	`98`	`f`	[ZN]B:398	x,y,z	`1_555`	`1`	`1`	`98`	`5.6`	`-4.5`	`0.000`	`0`	`0`	`0`	`0.054`
9	`11`		[ZN]A:398	`1`	`1`	`98`	`◊`	B	y,x,-z	`4_555`	`1`	`1`	`19269`	`0.3`	`-0.1`	`0.000`	`0`	`0`	`0`	`0.000`

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

Protein Data Bank
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