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Interfaces in PDB 3qxe crystal.
Space symmetry group: P 1 21 1. Resolution: 2.10 Å

CRYSTAL STRUCTURE OF CO-TYPE NITRILE HYDRATASE FROM PSEUDOMONAS PUTIDA.

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	`400`	`106`	`13653`	`◊`	A	x,y,z	`1_555`	`380`	`88`	`11432`	`3806.5`	`-39.3`	`0.325`	`54`	`17`	`0`	`0.915`
	`2`		H	`407`	`106`	`13705`	`◊`	G	x,y,z	`1_555`	`373`	`88`	`11214`	`3798.1`	`-39.5`	`0.326`	`55`	`14`	`0`	`0.915`
	`3`		D	`398`	`104`	`13704`	`◊`	C	x,y,z	`1_555`	`369`	`88`	`11354`	`3796.5`	`-39.0`	`0.329`	`51`	`16`	`0`	`0.915`
	`4`		F	`405`	`105`	`13672`	`◊`	E	x,y,z	`1_555`	`371`	`88`	`11150`	`3782.4`	`-40.1`	`0.303`	`51`	`13`	`0`	`0.915`
	*Average:*													`3795.9`	`-39.5`	`0.321`	`53`	`15`	`0`	`0.915`
2	`5`		B	`101`	`32`	`13653`	`◊`	F	-x,y-1/2,-z	`2_545`	`100`	`32`	`13672`	`1017.9`	`-5.7`	`0.626`	`12`	`1`	`0`	`0.528`
	`6`		D	`103`	`34`	`13704`	`◊`	H	x,y,z-1	`1_554`	`100`	`32`	`13705`	`1012.3`	`-6.3`	`0.594`	`13`	`1`	`0`	`0.528`
	*Average:*													`1015.1`	`-6.0`	`0.610`	`13`	`1`	`0`	`0.528`
3	`7`		D	`62`	`19`	`13704`	`◊`	H	-x+1,y-1/2,-z	`2_645`	`66`	`22`	`13705`	`578.7`	`-7.9`	`0.308`	`3`	`1`	`0`	`0.000`
	`8`		F	`61`	`21`	`13672`	`◊`	B	x,y,z	`1_555`	`61`	`20`	`13653`	`567.0`	`-8.3`	`0.258`	`1`	`1`	`0`	`0.000`
	*Average:*													`572.9`	`-8.1`	`0.283`	`2`	`1`	`0`	`0.000`
4	`9`		C	`48`	`12`	`11354`	`◊`	A	x,y,z	`1_555`	`44`	`13`	`11432`	`374.5`	`0.5`	`0.862`	`2`	`0`	`0`	`0.000`
5	`10`		A	`22`	`6`	`11432`	`◊`	E	-x+1,y-1/2,-z	`2_645`	`21`	`8`	`11150`	`200.8`	`-2.6`	`0.385`	`2`	`0`	`0`	`0.000`
6	`11`		B	`14`	`5`	`13653`	`◊`	D	x-1,y,z	`1_455`	`13`	`5`	`13704`	`144.4`	`-2.3`	`0.309`	`0`	`0`	`0`	`0.000`
7	`12`		A	`17`	`4`	`11432`	`◊`	G	-x+1,y-1/2,-z	`2_645`	`14`	`5`	`11214`	`143.4`	`-0.8`	`0.555`	`0`	`0`	`0`	`0.000`
	`13`		E	`15`	`6`	`11150`	`◊`	C	x,y,z	`1_555`	`13`	`4`	`11354`	`140.0`	`-0.7`	`0.613`	`0`	`0`	`0`	`0.000`
	*Average:*													`141.7`	`-0.8`	`0.584`	`0`	`0`	`0`	`0.000`
8	`14`		D	`14`	`5`	`13704`	`◊`	E	x,y,z	`1_555`	`20`	`6`	`11150`	`140.9`	`-2.5`	`0.242`	`0`	`0`	`0`	`0.000`
	`15`		B	`14`	`4`	`13653`	`◊`	G	-x+1,y-1/2,-z	`2_645`	`23`	`6`	`11214`	`138.3`	`-2.4`	`0.248`	`0`	`0`	`0`	`0.000`
	*Average:*													`139.6`	`-2.4`	`0.245`	`0`	`0`	`0`	`0.000`
9	`16`		G	`23`	`6`	`11214`	`◊`	C	x,y,z	`1_555`	`12`	`7`	`11354`	`123.9`	`-2.2`	`0.305`	`1`	`0`	`0`	`0.000`
10	`17`		A	`12`	`4`	`11432`	`◊`	F	-x+1,y-1/2,-z	`2_645`	`11`	`4`	`13672`	`123.7`	`-0.1`	`0.671`	`3`	`0`	`0`	`0.000`
11	`18`		D	`11`	`4`	`13704`	`◊`	B	x,y,z-1	`1_554`	`9`	`4`	`13653`	`110.5`	`-1.7`	`0.308`	`0`	`0`	`0`	`0.000`
12	`19`		[GOL]A:213	`6`	`1`	`219`	`◊`	A	x,y,z	`1_555`	`16`	`8`	`11432`	`96.9`	`0.4`	`0.705`	`4`	`0`	`0`	`0.019`
13	`20`		[GOL]E:213	`6`	`1`	`216`	`◊`	E	x,y,z	`1_555`	`15`	`7`	`11150`	`95.9`	`0.2`	`0.692`	`3`	`0`	`0`	`0.016`
	`21`		[GOL]C:213	`6`	`1`	`215`	`◊`	C	x,y,z	`1_555`	`14`	`7`	`11354`	`91.6`	`0.5`	`0.769`	`3`	`0`	`0`	`0.016`
	*Average:*													`93.7`	`0.3`	`0.731`	`3`	`0`	`0`	`0.016`
14	`22`		[GOL]G:213	`6`	`1`	`220`	`◊`	G	x,y,z	`1_555`	`15`	`7`	`11214`	`93.3`	`0.4`	`0.709`	`3`	`0`	`0`	`0.012`
15	`23`		[GOL]D:220	`6`	`1`	`212`	`f`	D	x,y,z	`1_555`	`14`	`5`	`13704`	`91.7`	`-0.3`	`0.584`	`3`	`0`	`0`	`0.072`
16	`24`		[GOL]H:220	`6`	`1`	`216`	`f`	H	x,y,z	`1_555`	`14`	`5`	`13705`	`90.8`	`-0.6`	`0.545`	`1`	`0`	`0`	`0.043`
17	`25`		[GOL]B:220	`6`	`1`	`211`	`f`	B	x,y,z	`1_555`	`15`	`6`	`13653`	`88.5`	`-0.3`	`0.634`	`3`	`0`	`0`	`0.033`
18	`26`		[GOL]F:220	`5`	`1`	`213`	`f`	F	x,y,z	`1_555`	`13`	`5`	`13672`	`87.0`	`-0.4`	`0.608`	`3`	`0`	`0`	`0.036`
19	`27`		[GOL]A:213	`6`	`1`	`219`	`f`	B	x,y,z	`1_555`	`18`	`8`	`13653`	`86.2`	`-1.0`	`0.453`	`1`	`0`	`0`	`0.030`
20	`28`		[GOL]G:213	`5`	`1`	`220`	`f`	H	x,y,z	`1_555`	`17`	`8`	`13705`	`86.1`	`-0.7`	`0.509`	`3`	`0`	`0`	`0.086`
21	`29`		[GOL]E:213	`6`	`1`	`216`	`f`	F	x,y,z	`1_555`	`18`	`8`	`13672`	`85.5`	`-0.8`	`0.518`	`1`	`0`	`0`	`0.073`
	`30`		[GOL]C:213	`6`	`1`	`215`	`f`	D	x,y,z	`1_555`	`15`	`7`	`13704`	`82.2`	`-1.3`	`0.450`	`1`	`0`	`0`	`0.073`
	*Average:*													`83.9`	`-1.0`	`0.484`	`1`	`0`	`0`	`0.073`
22	`31`		C	`12`	`2`	`11354`	`◊`	H	x,y,z-1	`1_554`	`8`	`4`	`13705`	`80.0`	`-1.4`	`0.365`	`0`	`0`	`0`	`0.017`
	`32`		A	`12`	`2`	`11432`	`◊`	F	-x,y-1/2,-z	`2_545`	`8`	`4`	`13672`	`75.7`	`-1.4`	`0.355`	`0`	`0`	`0`	`0.017`
	`33`		B	`8`	`4`	`13653`	`◊`	E	-x,y-1/2,-z	`2_545`	`12`	`2`	`11150`	`75.2`	`-0.6`	`0.442`	`0`	`0`	`0`	`0.017`
	`34`		D	`8`	`4`	`13704`	`◊`	G	x,y,z-1	`1_554`	`12`	`2`	`11214`	`68.8`	`-1.3`	`0.381`	`0`	`0`	`0`	`0.017`
	*Average:*													`74.9`	`-1.2`	`0.386`	`0`	`0`	`0`	`0.017`
23	`35`		[GOL]B:220	`3`	`1`	`211`	`◊`	A	x,y,z	`1_555`	`7`	`2`	`11432`	`47.3`	`-0.6`	`0.512`	`0`	`0`	`0`	`0.009`
24	`36`		F	`6`	`3`	`13672`	`◊`	H	x-1,y,z-1	`1_454`	`9`	`3`	`13705`	`47.1`	`0.6`	`0.783`	`1`	`0`	`0`	`0.000`
25	`37`		[GOL]D:220	`3`	`1`	`212`	`◊`	C	x,y,z	`1_555`	`6`	`1`	`11354`	`43.4`	`-0.3`	`0.508`	`0`	`0`	`0`	`0.004`
26	`38`		H	`7`	`2`	`13705`	`◊`	C	x,y,z	`1_555`	`3`	`1`	`11354`	`42.5`	`-1.1`	`0.239`	`0`	`0`	`0`	`0.000`
27	`39`		[GOL]H:220	`4`	`1`	`216`	`◊`	G	x,y,z	`1_555`	`6`	`1`	`11214`	`38.8`	`-0.5`	`0.504`	`0`	`0`	`0`	`0.007`
28	`40`		[GOL]F:220	`5`	`1`	`213`	`◊`	E	x,y,z	`1_555`	`6`	`1`	`11150`	`37.8`	`-0.8`	`0.455`	`0`	`0`	`0`	`0.012`
29	`41`		[GOL]D:220	`3`	`1`	`212`	`◊`	H	x,y,z-1	`1_554`	`5`	`2`	`13705`	`32.9`	`-0.5`	`0.408`	`0`	`0`	`0`	`0.024`
30	`42`		B	`3`	`2`	`13653`	`◊`	[GOL]F:220	-x,y-1/2,-z	`2_545`	`3`	`1`	`213`	`22.6`	`-0.2`	`0.484`	`0`	`0`	`0`	`0.000`
31	`43`		[3CO]E:212	`1`	`1`	`125`	`f`	F	x,y,z	`1_555`	`5`	`2`	`13672`	`22.6`	`-1.9`	`0.000`	`0`	`0`	`0`	`0.153`
	`44`		[3CO]C:212	`1`	`1`	`125`	`f`	D	x,y,z	`1_555`	`5`	`2`	`13704`	`22.5`	`-1.8`	`0.000`	`0`	`0`	`0`	`0.153`
	`45`		[3CO]A:212	`1`	`1`	`125`	`f`	B	x,y,z	`1_555`	`5`	`2`	`13653`	`21.7`	`-1.8`	`0.000`	`0`	`0`	`0`	`0.153`
	`46`		[3CO]G:212	`1`	`1`	`125`	`f`	H	x,y,z	`1_555`	`5`	`2`	`13705`	`21.5`	`-1.8`	`0.000`	`0`	`0`	`0`	`0.153`
	*Average:*													`22.1`	`-1.8`	`0.000`	`0`	`0`	`0`	`0.153`
32	`47`		D	`3`	`2`	`13704`	`◊`	[GOL]H:220	x,y,z-1	`1_554`	`3`	`1`	`216`	`17.0`	`-0.5`	`0.414`	`0`	`0`	`0`	`0.021`
33	`48`		[GOL]B:220	`4`	`1`	`211`	`◊`	F	-x,y-1/2,-z	`2_545`	`3`	`2`	`13672`	`14.8`	`-0.1`	`0.515`	`0`	`0`	`0`	`0.000`
34	`49`		B	`1`	`1`	`13653`	`◊`	E	-x+1,y-1/2,-z	`2_645`	`2`	`2`	`11150`	`11.8`	`0.6`	`0.867`	`0`	`0`	`0`	`0.000`
35	`50`		A	`1`	`1`	`11432`	`◊`	C	-x+1,y-1/2,-z	`2_645`	`1`	`1`	`11354`	`2.5`	`-0.1`	`0.429`	`0`	`0`	`0`	`0.000`

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

Protein Data Bank
in Europe

Bringing Structure to Biology

PDBePISA

Protein Data Bank in Europe

Bringing Structure to Biology

PDBePISA

Protein Data Bank
in Europe