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Interfaces in PDB 4ixt crystal.
Space symmetry group: P 43 21 2. Resolution: 2.49 Å

STRUCTURE OF A 37-FOLD MUTANT OF HALOHYDRIN DEHALOGENASE (HHEC) BOUND TO ETHYL (R)-4-CYANO-3-HYDROXYBUTYRATE

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	`177`	`45`	`11940`	`◊`	A	x,y,z	`1_555`	`175`	`47`	`12669`	`1770.9`	`-23.7`	`0.085`	`17`	`10`	`0`	`0.741`
2	`2`		B	`164`	`41`	`11940`	`◊`	A	-y+1,-x+1,-z+1/2	`8_665`	`161`	`41`	`12669`	`1394.1`	`-18.4`	`0.198`	`24`	`0`	`0`	`0.717`
3	`3`		A	`124`	`23`	`12669`	`◊`	A	-y+1,-x+1,-z+1/2	`8_665`	`123`	`23`	`12669`	`1120.1`	`-14.9`	`0.206`	`9`	`2`	`0`	`0.164`
	`4`		B	`45`	`12`	`11940`	`◊`	B	-y+1,-x+1,-z+1/2	`8_665`	`47`	`12`	`11940`	`440.8`	`-6.1`	`0.236`	`3`	`0`	`0`	`0.164`
	*Average:*													`780.5`	`-10.5`	`0.221`	`6`	`1`	`0`	`0.164`
4	`5`		A	`42`	`14`	`12669`	`◊`	B	-y+1/2,x-1/2,z-1/4	`3_544`	`46`	`17`	`11940`	`415.5`	`0.1`	`0.728`	`4`	`0`	`0`	`0.000`
5	`6`		B	`24`	`8`	`11940`	`◊`	A	x-1/2,-y+1/2,-z+1/4	`6_455`	`25`	`9`	`12669`	`253.9`	`-1.2`	`0.567`	`3`	`0`	`0`	`0.000`
6	`7`		[1H1]A:301	`11`	`1`	`347`	`◊`	A	x,y,z	`1_555`	`40`	`15`	`12669`	`216.3`	`6.5`	`0.526`	`2`	`0`	`0`	`0.000`
7	`8`		B	`23`	`7`	`11940`	`x`	B	-y+1/2,x-1/2,z-1/4	`3_544`	`22`	`7`	`11940`	`159.0`	`-0.7`	`0.639`	`2`	`0`	`0`	`0.000`
8	`9`		[CL]B:301	`1`	`1`	`125`	`f`	B	x,y,z	`1_555`	`17`	`7`	`11940`	`75.6`	`-12.2`	`0.000`	`0`	`0`	`0`	`0.302`
9	`10`		A	`5`	`2`	`12669`	`x`	A	x-1/2,-y+1/2,-z+1/4	`6_455`	`9`	`5`	`12669`	`49.4`	`0.1`	`0.667`	`0`	`0`	`0`	`0.000`
10	`11`		[1H1]A:301	`3`	`1`	`347`	`f`	A	-y+1,-x+1,-z+1/2	`8_665`	`6`	`1`	`12669`	`38.0`	`0.8`	`0.281`	`0`	`0`	`0`	`0.000`

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

Protein Data Bank
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