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Interfaces in PDB 4i3x crystal.
Space symmetry group: P 1 21 1. Resolution: 2.07 Å

STRUCTURE OF PHOSPHONOACETALDEHYDE DEHYDROGENASE IN COMPLEX WITH PHOSPHONOACETATE AND COFACTOR NAD+

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`		F	`265`	`76`	`18909`	`◊`	G	-x,y-1/2,-z	`2_545`	`261`	`75`	`18818`	`2519.2`	`-30.8`	`0.051`	`37`	`3`	`0`	`0.503`
	`2`		B	`264`	`74`	`18928`	`◊`	A	x,y,z	`1_555`	`260`	`71`	`18982`	`2468.6`	`-28.9`	`0.078`	`35`	`4`	`0`	`0.503`
	`3`		C	`254`	`71`	`18913`	`◊`	E	-x,y-1/2,-z	`2_545`	`261`	`74`	`18875`	`2453.2`	`-30.9`	`0.046`	`33`	`2`	`0`	`0.503`
	`4`		H	`255`	`71`	`18989`	`◊`	D	x,y,z	`1_555`	`251`	`72`	`18933`	`2440.3`	`-29.2`	`0.060`	`35`	`5`	`0`	`0.503`
	*Average:*													`2470.3`	`-29.9`	`0.059`	`35`	`4`	`0`	`0.503`
2	`5`		F	`131`	`32`	`18909`	`◊`	E	-x,y-1/2,-z	`2_545`	`124`	`30`	`18875`	`1124.8`	`-15.0`	`0.121`	`13`	`2`	`0`	`0.328`
	`6`		C	`121`	`30`	`18913`	`◊`	G	-x,y-1/2,-z	`2_545`	`121`	`29`	`18818`	`1089.5`	`-16.1`	`0.079`	`12`	`0`	`0`	`0.328`
	`7`		H	`124`	`30`	`18989`	`◊`	B	x,y,z	`1_555`	`122`	`30`	`18928`	`1082.2`	`-16.0`	`0.082`	`14`	`1`	`0`	`0.328`
	`8`		D	`117`	`30`	`18933`	`◊`	A	x,y,z	`1_555`	`119`	`29`	`18982`	`1067.4`	`-16.3`	`0.061`	`12`	`0`	`0`	`0.328`
	*Average:*													`1091.0`	`-15.8`	`0.086`	`13`	`1`	`0`	`0.328`
3	`9`		F	`67`	`21`	`18909`	`◊`	C	x,y,z	`1_555`	`67`	`19`	`18913`	`700.3`	`-6.5`	`0.272`	`7`	`0`	`0`	`0.081`
	`10`		H	`67`	`20`	`18989`	`◊`	A	x,y,z	`1_555`	`65`	`19`	`18982`	`694.7`	`-6.6`	`0.248`	`7`	`0`	`0`	`0.081`
	`11`		D	`66`	`20`	`18933`	`◊`	B	x,y,z	`1_555`	`65`	`19`	`18928`	`681.6`	`-6.4`	`0.241`	`9`	`0`	`0`	`0.081`
	`12`		G	`68`	`20`	`18818`	`◊`	E	x,y,z	`1_555`	`70`	`21`	`18875`	`680.2`	`-7.3`	`0.226`	`7`	`0`	`0`	`0.081`
	*Average:*													`689.2`	`-6.7`	`0.247`	`8`	`0`	`0`	`0.081`
4	`13`		[NAD]B:501	`42`	`1`	`860`	`f`	B	x,y,z	`1_555`	`83`	`34`	`18928`	`589.3`	`-9.8`	`0.269`	`6`	`0`	`0`	`0.375`
	`14`		[NAD]F:501	`43`	`1`	`863`	`f`	F	x,y,z	`1_555`	`82`	`34`	`18909`	`588.5`	`-9.3`	`0.263`	`6`	`0`	`0`	`0.375`
	`15`		[NAD]G:501	`43`	`1`	`862`	`f`	G	x,y,z	`1_555`	`84`	`33`	`18818`	`585.8`	`-9.4`	`0.311`	`8`	`0`	`0`	`0.375`
	`16`		[NAD]A:501	`42`	`1`	`860`	`f`	A	x,y,z	`1_555`	`81`	`34`	`18982`	`583.4`	`-9.9`	`0.261`	`6`	`0`	`0`	`0.375`
	`17`		[NAD]H:501	`43`	`1`	`865`	`f`	H	x,y,z	`1_555`	`78`	`33`	`18989`	`583.0`	`-9.6`	`0.240`	`7`	`0`	`0`	`0.375`
	`18`		[NAD]D:501	`43`	`1`	`862`	`f`	D	x,y,z	`1_555`	`81`	`34`	`18933`	`582.1`	`-9.7`	`0.249`	`7`	`0`	`0`	`0.375`
	`19`		[NAD]C:501	`44`	`1`	`853`	`f`	C	x,y,z	`1_555`	`80`	`34`	`18913`	`581.5`	`-9.9`	`0.273`	`7`	`0`	`0`	`0.375`
	`20`		[NAD]E:501	`44`	`1`	`859`	`f`	E	x,y,z	`1_555`	`81`	`33`	`18875`	`578.7`	`-10.5`	`0.268`	`6`	`0`	`0`	`0.375`
	*Average:*													`584.0`	`-9.8`	`0.267`	`7`	`0`	`0`	`0.375`
5	`21`		F	`42`	`11`	`18909`	`◊`	A	x,y,z	`1_555`	`42`	`13`	`18982`	`358.5`	`0.7`	`0.826`	`2`	`0`	`0`	`0.000`
	`22`		B	`40`	`11`	`18928`	`◊`	G	-x,y-1/2,-z-1	`2_544`	`43`	`14`	`18818`	`342.6`	`-1.7`	`0.618`	`1`	`0`	`0`	`0.000`
	*Average:*													`350.6`	`-0.5`	`0.722`	`2`	`0`	`0`	`0.000`
6	`23`		E	`29`	`9`	`18875`	`◊`	A	x,y,z	`1_555`	`31`	`8`	`18982`	`255.9`	`-0.3`	`0.640`	`2`	`4`	`0`	`0.000`
7	`24`		A	`26`	`8`	`18982`	`◊`	E	-x+1,y-1/2,-z	`2_645`	`25`	`8`	`18875`	`235.2`	`-1.9`	`0.269`	`1`	`1`	`0`	`0.017`
8	`25`		C	`25`	`8`	`18913`	`◊`	A	x-1,y,z	`1_455`	`23`	`6`	`18982`	`198.4`	`-0.6`	`0.631`	`3`	`0`	`0`	`0.004`
9	`26`		D	`27`	`9`	`18933`	`◊`	E	-x+1,y-1/2,-z	`2_645`	`18`	`7`	`18875`	`184.7`	`-2.6`	`0.298`	`1`	`0`	`0`	`0.021`
10	`27`		E	`18`	`7`	`18875`	`◊`	C	x,y,z	`1_555`	`20`	`4`	`18913`	`179.2`	`1.9`	`0.868`	`3`	`1`	`0`	`0.000`
11	`28`		[PAE]B:502	`8`	`1`	`248`	`f`	B	x,y,z	`1_555`	`25`	`13`	`18928`	`143.1`	`-5.7`	`0.425`	`9`	`0`	`0`	`0.143`
12	`29`		[PAE]G:502	`8`	`1`	`243`	`f`	G	x,y,z	`1_555`	`23`	`13`	`18818`	`141.5`	`-6.8`	`0.218`	`11`	`0`	`0`	`0.168`
13	`30`		[PAE]H:502	`8`	`1`	`240`	`f`	H	x,y,z	`1_555`	`25`	`13`	`18989`	`140.1`	`-6.3`	`0.302`	`10`	`0`	`0`	`0.157`
14	`31`		[PAE]F:502	`8`	`1`	`240`	`f`	F	x,y,z	`1_555`	`22`	`12`	`18909`	`139.9`	`-6.3`	`0.253`	`9`	`0`	`0`	`0.310`
	`32`		[PAE]E:502	`8`	`1`	`247`	`f`	E	x,y,z	`1_555`	`23`	`13`	`18875`	`139.5`	`-6.5`	`0.231`	`9`	`0`	`0`	`0.310`
	`33`		[PAE]A:502	`8`	`1`	`239`	`f`	A	x,y,z	`1_555`	`23`	`12`	`18982`	`135.3`	`-6.5`	`0.242`	`10`	`0`	`0`	`0.310`
	*Average:*													`138.2`	`-6.5`	`0.242`	`9`	`0`	`0`	`0.310`
15	`34`		[PAE]D:502	`8`	`1`	`242`	`f`	D	x,y,z	`1_555`	`21`	`12`	`18933`	`138.5`	`-6.4`	`0.256`	`10`	`0`	`0`	`0.156`
16	`35`		[PAE]C:502	`8`	`1`	`242`	`f`	C	x,y,z	`1_555`	`19`	`12`	`18913`	`137.1`	`-5.3`	`0.438`	`10`	`0`	`0`	`0.140`
17	`36`		D	`17`	`6`	`18933`	`◊`	H	-x+1,y-1/2,-z-1	`2_644`	`17`	`9`	`18989`	`125.5`	`-1.0`	`0.544`	`2`	`0`	`0`	`0.000`
18	`37`		B	`14`	`4`	`18928`	`◊`	H	x-1,y,z	`1_455`	`9`	`3`	`18989`	`102.3`	`-1.1`	`0.451`	`0`	`0`	`0`	`0.000`
19	`38`		C	`12`	`3`	`18913`	`◊`	B	x,y,z	`1_555`	`11`	`4`	`18928`	`101.4`	`-0.1`	`0.382`	`1`	`0`	`0`	`0.000`
	`39`		D	`15`	`4`	`18933`	`◊`	F	x,y,z-1	`1_554`	`9`	`4`	`18909`	`93.9`	`1.2`	`0.679`	`0`	`0`	`0`	`0.000`
	*Average:*													`97.7`	`0.5`	`0.531`	`1`	`0`	`0`	`0.000`
20	`40`		C	`11`	`4`	`18913`	`◊`	A	x,y,z	`1_555`	`8`	`5`	`18982`	`84.1`	`-1.3`	`0.364`	`0`	`0`	`0`	`0.000`
	`41`		D	`3`	`1`	`18933`	`◊`	G	-x,y-1/2,-z-1	`2_544`	`3`	`2`	`18818`	`18.1`	`-0.1`	`0.504`	`0`	`0`	`0`	`0.000`
	*Average:*													`51.1`	`-0.7`	`0.434`	`0`	`0`	`0`	`0.000`
21	`42`		A	`7`	`3`	`18982`	`◊`	G	-x,y-1/2,-z	`2_545`	`6`	`2`	`18818`	`43.7`	`0.3`	`0.705`	`0`	`0`	`0`	`0.000`
	`43`		A	`4`	`2`	`18982`	`◊`	G	-x,y-1/2,-z-1	`2_544`	`5`	`2`	`18818`	`35.6`	`-0.7`	`0.294`	`0`	`0`	`0`	`0.000`
	*Average:*													`39.7`	`-0.2`	`0.499`	`0`	`0`	`0`	`0.000`
22	`44`		[PAE]E:502	`4`	`1`	`247`	`f`	[NAD]E:501	x,y,z	`1_555`	`4`	`1`	`859`	`38.3`	`-0.1`	`0.616`	`0`	`0`	`0`	`0.003`
	`45`		[PAE]A:502	`4`	`1`	`239`	`f`	[NAD]A:501	x,y,z	`1_555`	`3`	`1`	`860`	`36.5`	`-0.2`	`0.582`	`0`	`0`	`0`	`0.003`
	`46`		[PAE]F:502	`4`	`1`	`240`	`f`	[NAD]F:501	x,y,z	`1_555`	`3`	`1`	`863`	`35.7`	`-0.1`	`0.555`	`0`	`0`	`0`	`0.003`
	*Average:*													`36.8`	`-0.1`	`0.584`	`0`	`0`	`0`	`0.003`
23	`47`		[PAE]B:502	`4`	`1`	`248`	`f`	[NAD]B:501	x,y,z	`1_555`	`4`	`1`	`860`	`36.7`	`-0.1`	`0.626`	`0`	`0`	`0`	`0.002`
24	`48`		[PAE]D:502	`3`	`1`	`242`	`f`	[NAD]D:501	x,y,z	`1_555`	`4`	`1`	`862`	`36.6`	`-0.3`	`0.599`	`0`	`0`	`0`	`0.004`
25	`49`		[PAE]H:502	`4`	`1`	`240`	`f`	[NAD]H:501	x,y,z	`1_555`	`4`	`1`	`865`	`36.0`	`-0.1`	`0.620`	`0`	`0`	`0`	`0.001`
26	`50`		[PAE]C:502	`4`	`1`	`242`	`f`	[NAD]C:501	x,y,z	`1_555`	`3`	`1`	`853`	`33.2`	`-0.5`	`0.571`	`0`	`0`	`0`	`0.007`
27	`51`		[PAE]G:502	`4`	`1`	`243`	`f`	[NAD]G:501	x,y,z	`1_555`	`3`	`1`	`862`	`32.7`	`-0.1`	`0.576`	`0`	`0`	`0`	`0.002`
28	`52`		D	`2`	`1`	`18933`	`◊`	[NAD]E:501	-x+1,y-1/2,-z	`2_645`	`1`	`1`	`859`	`18.0`	`0.1`	`0.457`	`0`	`0`	`0`	`0.000`
29	`53`		C	`4`	`2`	`18913`	`◊`	D	x-1,y,z	`1_455`	`3`	`1`	`18933`	`14.8`	`-0.1`	`0.577`	`0`	`0`	`0`	`0.000`
30	`54`		G	`1`	`1`	`18818`	`◊`	H	x-1,y,z	`1_455`	`1`	`1`	`18989`	`3.4`	`-0.1`	`0.374`	`0`	`0`	`0`	`0.000`
31	`55`		B	`1`	`1`	`18928`	`◊`	D	x-1,y,z	`1_455`	`1`	`1`	`18933`	`1.9`	`-0.1`	`0.452`	`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