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Interfaces in PDB 2wvu crystal.
Space symmetry group: P 1 21 1. Resolution: 1.95 Å

CRYSTAL STRUCTURE OF A MICHAELIS COMPLEX OF ALPHA-L- FUCOSIDASE GH29 FROM BACTEROIDES THETAIOTAOMICRON WITH THE SYNTHETIC SUBSTRATE 4-NITROPHENYL-ALPHA-L-FUCOSE

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	`128`	`36`	`18278`	`◊`	A	x,y,z-1	`1_554`	`129`	`35`	`18500`	`1126.5`	`-9.0`	`0.210`	`16`	`4`	`0`	`0.275`
	`2`		D	`131`	`34`	`18670`	`◊`	C	x,y,z-1	`1_554`	`127`	`35`	`18465`	`1110.3`	`-9.2`	`0.185`	`15`	`3`	`0`	`0.275`
	*Average:*													`1118.4`	`-9.1`	`0.198`	`16`	`4`	`0`	`0.275`
2	`3`		D	`48`	`12`	`18670`	`◊`	B	-x,y-1/2,-z	`2_545`	`44`	`15`	`18278`	`430.8`	`-5.1`	`0.125`	`3`	`0`	`0`	`0.076`
3	`4`		B	`40`	`11`	`18278`	`◊`	A	x,y,z	`1_555`	`38`	`11`	`18500`	`331.9`	`-1.8`	`0.421`	`1`	`1`	`0`	`0.000`
	`5`		D	`36`	`10`	`18670`	`◊`	C	x,y,z	`1_555`	`35`	`10`	`18465`	`297.2`	`-1.7`	`0.417`	`0`	`0`	`0`	`0.000`
	*Average:*													`314.5`	`-1.8`	`0.419`	`1`	`1`	`0`	`0.000`
4	`6`		D	`41`	`12`	`18670`	`◊`	A	-x+1,y-1/2,-z	`2_645`	`39`	`12`	`18500`	`324.5`	`-2.0`	`0.402`	`3`	`3`	`0`	`0.047`
5	`7`		C	`38`	`13`	`18465`	`◊`	B	-x,y-1/2,-z	`2_545`	`34`	`11`	`18278`	`312.5`	`-2.1`	`0.376`	`2`	`2`	`0`	`0.000`
6	`8`		C	`33`	`10`	`18465`	`◊`	D	x-1,y,z	`1_455`	`33`	`9`	`18670`	`305.3`	`1.1`	`0.716`	`4`	`3`	`0`	`0.000`
7	`9`		[147]A:2001	`19`	`1`	`449`	`f`	A	x,y,z	`1_555`	`42`	`16`	`18500`	`271.9`	`2.1`	`0.436`	`6`	`0`	`0`	`0.088`
	`10`		[147]B:2001	`20`	`1`	`448`	`f`	B	x,y,z	`1_555`	`44`	`14`	`18278`	`271.5`	`-0.8`	`0.170`	`8`	`0`	`0`	`0.088`
	`11`		[147]D:2001	`20`	`1`	`452`	`f`	D	x,y,z	`1_555`	`44`	`16`	`18670`	`270.8`	`0.1`	`0.210`	`7`	`0`	`0`	`0.088`
	`12`		[147]C:2001	`20`	`1`	`452`	`f`	C	x,y,z	`1_555`	`47`	`17`	`18465`	`265.3`	`-0.7`	`0.141`	`7`	`0`	`0`	`0.088`
	*Average:*													`269.9`	`0.2`	`0.239`	`7`	`0`	`0`	`0.088`
8	`13`		C	`23`	`7`	`18465`	`◊`	B	x-1,y,z	`1_455`	`31`	`11`	`18278`	`206.3`	`1.1`	`0.697`	`1`	`0`	`0`	`0.000`
9	`14`		B	`25`	`8`	`18278`	`x`	B	x-1,y,z	`1_455`	`21`	`5`	`18278`	`205.1`	`0.5`	`0.678`	`2`	`0`	`0`	`0.000`
10	`15`		C	`23`	`8`	`18465`	`◊`	B	x,y,z	`1_555`	`24`	`10`	`18278`	`178.4`	`-2.5`	`0.257`	`0`	`0`	`0`	`0.000`
11	`16`		C	`20`	`8`	`18465`	`◊`	A	-x+1,y-1/2,-z+1	`2_646`	`21`	`5`	`18500`	`178.1`	`0.3`	`0.601`	`1`	`0`	`0`	`0.001`
12	`17`		A	`16`	`5`	`18500`	`x`	A	x-1,y,z	`1_455`	`19`	`4`	`18500`	`173.5`	`-0.7`	`0.447`	`1`	`1`	`0`	`0.000`
13	`18`		D	`13`	`7`	`18670`	`◊`	B	x,y,z-1	`1_554`	`26`	`9`	`18278`	`152.9`	`-0.1`	`0.519`	`0`	`1`	`0`	`0.000`
14	`19`		D	`15`	`7`	`18670`	`◊`	A	x,y,z-1	`1_554`	`16`	`6`	`18500`	`130.3`	`2.3`	`0.861`	`0`	`0`	`0`	`0.000`
15	`20`		[SO4]C:1473	`5`	`1`	`185`	`f`	C	x,y,z	`1_555`	`19`	`10`	`18465`	`112.5`	`-21.4`	`0.559`	`2`	`0`	`0`	`0.207`
16	`21`		[SO4]B:1472	`5`	`1`	`185`	`f`	B	x,y,z	`1_555`	`12`	`4`	`18278`	`88.3`	`-13.3`	`0.903`	`5`	`0`	`0`	`0.256`
17	`22`		[SO4]A:1472	`5`	`1`	`184`	`f`	A	x,y,z	`1_555`	`11`	`4`	`18500`	`87.8`	`-12.7`	`0.909`	`6`	`0`	`0`	`0.254`
18	`23`		[SO4]C:1472	`5`	`1`	`185`	`f`	C	x,y,z	`1_555`	`11`	`4`	`18465`	`86.7`	`-13.0`	`0.907`	`5`	`0`	`0`	`0.141`
19	`24`		D	`10`	`3`	`18670`	`◊`	A	-x,y-1/2,-z	`2_545`	`9`	`3`	`18500`	`86.6`	`-1.0`	`0.322`	`0`	`0`	`0`	`0.000`
20	`25`		[SO4]D:1473	`5`	`1`	`185`	`f`	D	x,y,z	`1_555`	`16`	`7`	`18670`	`85.7`	`-14.2`	`0.603`	`0`	`0`	`0`	`0.177`
21	`26`		[SO4]D:1472	`5`	`1`	`184`	`f`	D	x,y,z	`1_555`	`12`	`5`	`18670`	`83.9`	`-12.2`	`0.836`	`5`	`0`	`0`	`0.180`
22	`27`		[SO4]D:1474	`4`	`1`	`185`	`f`	D	x,y,z	`1_555`	`9`	`5`	`18670`	`71.2`	`-9.2`	`0.836`	`2`	`0`	`0`	`0.126`
23	`28`		A	`8`	`5`	`18500`	`◊`	B	x-1,y,z+1	`1_456`	`5`	`2`	`18278`	`67.4`	`1.1`	`0.820`	`1`	`2`	`0`	`0.000`
24	`29`		[147]D:2001	`11`	`1`	`452`	`◊`	A	-x+1,y-1/2,-z	`2_645`	`5`	`1`	`18500`	`55.2`	`-0.4`	`0.288`	`0`	`0`	`0`	`0.005`
25	`30`		D	`6`	`2`	`18670`	`◊`	B	-x+1,y-1/2,-z	`2_645`	`6`	`2`	`18278`	`54.7`	`0.9`	`0.805`	`0`	`0`	`0`	`0.000`
26	`31`		[SO4]D:1473	`4`	`1`	`185`	`◊`	B	-x,y-1/2,-z	`2_545`	`9`	`3`	`18278`	`53.0`	`-7.8`	`0.491`	`1`	`0`	`0`	`0.097`
27	`32`		[SO4]D:1472	`4`	`1`	`184`	`◊`	A	-x+1,y-1/2,-z	`2_645`	`5`	`2`	`18500`	`41.6`	`-5.2`	`0.438`	`0`	`0`	`0`	`0.065`
28	`33`		[147]B:2001	`3`	`1`	`448`	`f`	[SO4]B:1472	x,y,z	`1_555`	`4`	`1`	`185`	`37.1`	`-4.0`	`0.663`	`0`	`0`	`0`	`0.066`
29	`34`		[147]A:2001	`3`	`1`	`449`	`f`	[SO4]A:1472	x,y,z	`1_555`	`3`	`1`	`184`	`36.0`	`-4.0`	`0.655`	`0`	`0`	`0`	`0.067`
30	`35`		[147]C:2001	`3`	`1`	`452`	`f`	[SO4]C:1472	x,y,z	`1_555`	`3`	`1`	`185`	`35.6`	`-4.4`	`0.628`	`0`	`0`	`0`	`0.040`
31	`36`		[SO4]D:1474	`3`	`1`	`185`	`◊`	A	-x+1,y-1/2,-z	`2_645`	`4`	`2`	`18500`	`33.0`	`-4.4`	`0.613`	`1`	`0`	`0`	`0.060`
32	`37`		[147]D:2001	`3`	`1`	`452`	`f`	[SO4]D:1472	x,y,z	`1_555`	`3`	`1`	`184`	`32.2`	`-4.1`	`0.479`	`0`	`0`	`0`	`0.051`
33	`38`		D	`8`	`5`	`18670`	`x`	D	x-1,y,z	`1_455`	`7`	`4`	`18670`	`32.0`	`-0.2`	`0.553`	`0`	`0`	`0`	`0.000`
34	`39`		C	`3`	`2`	`18465`	`◊`	A	x,y,z-1	`1_554`	`2`	`1`	`18500`	`22.6`	`0.6`	`0.841`	`0`	`0`	`0`	`0.000`
35	`40`		D	`1`	`1`	`18670`	`◊`	B	x,y,z	`1_555`	`1`	`1`	`18278`	`4.9`	`0.3`	`0.849`	`0`	`0`	`0`	`0.000`
36	`41`		D	`2`	`1`	`18670`	`◊`	C	x-1,y,z-1	`1_454`	`2`	`1`	`18465`	`4.6`	`-0.1`	`0.495`	`0`	`0`	`0`	`0.000`

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

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