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Interfaces in PDB 5tzw crystal.
Space symmetry group: P 1. Resolution: 1.59 Å

CRYSTAL STRUCTURE OF HUMAN PHOSPHODIESTERASE 2A IN COMPLEX WITH 1-[(3, 4-DIFLUOROPHENYL)CARBONYL]-3,3-DIFLUORO-5-{5-METHYL-[1,2, 4]TRIAZOLO[1,5-A]PYRIMIDIN-7-YL}PIPERIDINE

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`		C	`133`	`30`	`15283`	`◊`	A	x,y-1,z-1	`1_544`	`131`	`30`	`16291`	`1285.3`	`-15.2`	`0.061`	`15`	`3`	`0`	`0.192`
	`2`		B	`129`	`32`	`16098`	`◊`	D	x-1,y,z-1	`1_454`	`129`	`30`	`15491`	`1267.1`	`-15.4`	`0.059`	`13`	`4`	`0`	`0.192`
	*Average:*													`1276.2`	`-15.3`	`0.060`	`14`	`4`	`0`	`0.192`
2	`3`		D	`71`	`23`	`15491`	`◊`	C	x,y,z	`1_555`	`79`	`26`	`15283`	`804.4`	`-4.0`	`0.401`	`8`	`6`	`0`	`0.000`
3	`4`		B	`76`	`22`	`16098`	`◊`	A	x,y,z	`1_555`	`69`	`18`	`16291`	`772.4`	`-7.0`	`0.203`	`8`	`2`	`0`	`0.000`
4	`5`		A	`82`	`23`	`16291`	`◊`	D	x-1,y,z	`1_455`	`86`	`28`	`15491`	`758.8`	`-2.2`	`0.518`	`7`	`4`	`0`	`0.000`
	`6`		C	`87`	`30`	`15283`	`◊`	B	x,y,z	`1_555`	`72`	`22`	`16098`	`752.7`	`-4.5`	`0.359`	`8`	`3`	`0`	`0.000`
	*Average:*													`755.7`	`-3.4`	`0.439`	`8`	`4`	`0`	`0.000`
5	`7`		D	`53`	`16`	`15491`	`◊`	A	x,y,z	`1_555`	`45`	`14`	`16291`	`428.6`	`1.8`	`0.752`	`6`	`1`	`0`	`0.000`
6	`8`		[7P4]C:1001	`27`	`1`	`533`	`f`	C	x,y,z	`1_555`	`46`	`18`	`15283`	`373.2`	`3.1`	`0.195`	`2`	`0`	`0`	`0.000`
	`9`		[7P4]D:1001	`27`	`1`	`531`	`f`	D	x,y,z	`1_555`	`45`	`17`	`15491`	`369.6`	`2.7`	`0.140`	`4`	`0`	`0`	`0.000`
	`10`		[7P4]A:1001	`27`	`1`	`533`	`f`	A	x,y,z	`1_555`	`47`	`18`	`16291`	`366.3`	`2.8`	`0.171`	`2`	`0`	`0`	`0.000`
	`11`		[7P4]B:1001	`27`	`1`	`537`	`f`	B	x,y,z	`1_555`	`42`	`18`	`16098`	`366.3`	`2.8`	`0.164`	`2`	`0`	`0`	`0.000`
	*Average:*													`368.9`	`2.8`	`0.167`	`3`	`0`	`0`	`0.000`
7	`12`		D	`39`	`12`	`15491`	`◊`	C	x-1,y,z	`1_455`	`39`	`13`	`15283`	`347.6`	`-0.5`	`0.593`	`3`	`0`	`0`	`0.000`
8	`13`		A	`37`	`13`	`16291`	`◊`	B	x-1,y,z	`1_455`	`34`	`11`	`16098`	`307.3`	`-0.0`	`0.633`	`3`	`4`	`0`	`0.000`
9	`14`		B	`37`	`12`	`16098`	`◊`	C	x-1,y,z	`1_455`	`35`	`13`	`15283`	`260.2`	`0.5`	`0.488`	`1`	`0`	`0`	`0.000`
10	`15`		B	`15`	`5`	`16098`	`x`	B	x-1,y,z	`1_455`	`18`	`4`	`16098`	`133.4`	`0.6`	`0.599`	`2`	`0`	`0`	`0.000`
11	`16`		A	`13`	`4`	`16291`	`◊`	C	x-1,y,z	`1_455`	`18`	`5`	`15283`	`130.3`	`-0.5`	`0.382`	`2`	`1`	`0`	`0.000`
12	`17`		D	`19`	`4`	`15491`	`◊`	B	x,y,z	`1_555`	`11`	`3`	`16098`	`97.4`	`-1.3`	`0.382`	`0`	`0`	`0`	`0.000`
13	`18`		C	`12`	`5`	`15283`	`◊`	B	x,y-1,z	`1_545`	`10`	`5`	`16098`	`94.8`	`0.7`	`0.666`	`0`	`0`	`0`	`0.000`
14	`19`		C	`12`	`5`	`15283`	`x`	C	x-1,y,z	`1_455`	`11`	`7`	`15283`	`88.8`	`0.3`	`0.657`	`1`	`0`	`0`	`0.000`
	`20`		D	`11`	`6`	`15491`	`x`	D	x-1,y,z	`1_455`	`11`	`4`	`15491`	`84.8`	`0.4`	`0.667`	`2`	`0`	`0`	`0.000`
	*Average:*													`86.8`	`0.3`	`0.662`	`2`	`0`	`0`	`0.000`
15	`21`		A	`8`	`3`	`16291`	`x`	A	x-1,y,z	`1_455`	`10`	`4`	`16291`	`83.5`	`0.6`	`0.694`	`2`	`0`	`0`	`0.000`
16	`22`		D	`7`	`3`	`15491`	`◊`	A	x,y-1,z	`1_545`	`8`	`3`	`16291`	`81.1`	`0.8`	`0.773`	`1`	`0`	`0`	`0.000`
17	`23`		A	`7`	`3`	`16291`	`◊`	C	x-1,y+1,z	`1_465`	`6`	`1`	`15283`	`64.6`	`-0.6`	`0.413`	`0`	`0`	`0`	`0.000`
18	`24`		B	`5`	`1`	`16098`	`◊`	C	x-1,y+1,z	`1_465`	`7`	`2`	`15283`	`59.2`	`0.8`	`0.768`	`0`	`2`	`0`	`0.000`
19	`25`		[MG]C:1003	`1`	`1`	`98`	`f`	C	x,y,z	`1_555`	`14`	`8`	`15283`	`57.1`	`-7.5`	`0.000`	`0`	`0`	`0`	`0.135`
	`26`		[MG]D:1003	`1`	`1`	`98`	`f`	D	x,y,z	`1_555`	`14`	`8`	`15491`	`56.7`	`-8.3`	`0.000`	`0`	`0`	`0`	`0.135`
	`27`		[MG]B:1003	`1`	`1`	`98`	`f`	B	x,y,z	`1_555`	`14`	`7`	`16098`	`56.4`	`-7.4`	`0.000`	`0`	`0`	`0`	`0.135`
	`28`		[MG]A:1003	`1`	`1`	`98`	`f`	A	x,y,z	`1_555`	`15`	`8`	`16291`	`55.7`	`-7.3`	`0.000`	`0`	`0`	`0`	`0.135`
	*Average:*													`56.5`	`-7.6`	`0.000`	`0`	`0`	`0`	`0.135`
20	`29`		[ZN]A:1002	`1`	`1`	`98`	`f`	A	x,y,z	`1_555`	`8`	`5`	`16291`	`45.3`	`-34.1`	`0.000`	`0`	`0`	`0`	`0.588`
	`30`		[ZN]C:1002	`1`	`1`	`98`	`f`	C	x,y,z	`1_555`	`8`	`5`	`15283`	`45.1`	`-34.1`	`0.000`	`0`	`0`	`0`	`0.588`
	`31`		[ZN]B:1002	`1`	`1`	`98`	`f`	B	x,y,z	`1_555`	`7`	`4`	`16098`	`44.8`	`-33.3`	`0.000`	`0`	`0`	`0`	`0.588`
	`32`		[ZN]D:1002	`1`	`1`	`98`	`f`	D	x,y,z	`1_555`	`7`	`4`	`15491`	`44.7`	`-33.1`	`0.000`	`0`	`0`	`0`	`0.588`
	*Average:*													`45.0`	`-33.6`	`0.000`	`0`	`0`	`0`	`0.588`
21	`33`		A	`4`	`2`	`16291`	`◊`	D	x-1,y+1,z	`1_465`	`2`	`1`	`15491`	`35.7`	`1.3`	`0.831`	`1`	`0`	`0`	`0.000`
22	`34`		B	`5`	`4`	`16098`	`◊`	D	x,y,z-1	`1_554`	`5`	`3`	`15491`	`34.5`	`0.6`	`0.649`	`0`	`0`	`0`	`0.000`
23	`35`		[MG]D:1003	`1`	`1`	`98`	`f`	[ZN]D:1002	x,y,z	`1_555`	`1`	`1`	`98`	`15.1`	`-7.4`	`0.000`	`0`	`0`	`0`	`0.064`
24	`36`		[MG]B:1003	`1`	`1`	`98`	`f`	[ZN]B:1002	x,y,z	`1_555`	`1`	`1`	`98`	`14.5`	`-7.2`	`0.000`	`0`	`0`	`0`	`0.062`
25	`37`		[MG]A:1003	`1`	`1`	`98`	`f`	[ZN]A:1002	x,y,z	`1_555`	`1`	`1`	`98`	`14.3`	`-7.1`	`0.000`	`0`	`0`	`0`	`0.061`
26	`38`		[MG]C:1003	`1`	`1`	`98`	`f`	[ZN]C:1002	x,y,z	`1_555`	`1`	`1`	`98`	`14.1`	`-7.0`	`0.000`	`0`	`0`	`0`	`0.061`
27	`39`		[MG]A:1003	`1`	`1`	`98`	`f`	[7P4]A:1001	x,y,z	`1_555`	`1`	`1`	`533`	`4.9`	`-0.4`	`0.000`	`0`	`0`	`0`	`0.006`
	`40`		[MG]C:1003	`1`	`1`	`98`	`f`	[7P4]C:1001	x,y,z	`1_555`	`1`	`1`	`533`	`4.1`	`-0.3`	`0.000`	`0`	`0`	`0`	`0.006`
	`41`		[MG]D:1003	`1`	`1`	`98`	`f`	[7P4]D:1001	x,y,z	`1_555`	`1`	`1`	`531`	`3.8`	`-0.3`	`0.000`	`0`	`0`	`0`	`0.006`
	`42`		[MG]B:1003	`1`	`1`	`98`	`f`	[7P4]B:1001	x,y,z	`1_555`	`1`	`1`	`537`	`3.3`	`-0.3`	`0.000`	`0`	`0`	`0`	`0.006`
	*Average:*													`4.0`	`-0.3`	`0.000`	`0`	`0`	`0`	`0.006`

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