PDBe < PISA < EMBL-EBI

PISA Interface List.

Session Map (id=793-H6-1IG)

Interfaces in PDB 4cde crystal.
Space symmetry group: P 31 2 1. Resolution: 2.40 Å

HUMAN DPP1 IN COMPLEX WITH 4-AMINO-N-((1S)-1-CYANO-2-(4-(4- CYANOPHENYL)PHENYL)ETHYL)TETRAHYDROPYRAN-4-CARBOXAMIDE

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	`283`	`60`	`6036`	`◊`	E	x,y,z	`1_555`	`316`	`76`	`10640`	`2885.9`	`-40.6`	`0.382`	`45`	`3`	`0`	`0.820`
	`2`		C	`284`	`60`	`6035`	`◊`	B	x,y,z	`1_555`	`316`	`77`	`10536`	`2874.8`	`-40.2`	`0.429`	`47`	`3`	`0`	`0.820`
	*Average:*													`2880.3`	`-40.4`	`0.405`	`46`	`3`	`0`	`0.820`
2	`3`		B	`93`	`21`	`10536`	`◊`	A	x,y,z	`1_555`	`101`	`26`	`7020`	`878.8`	`-7.4`	`0.467`	`14`	`3`	`0`	`0.616`
	`4`		E	`88`	`20`	`10640`	`◊`	D	x,y,z	`1_555`	`102`	`26`	`7012`	`867.4`	`-7.8`	`0.463`	`12`	`3`	`0`	`0.616`
	*Average:*													`873.1`	`-7.6`	`0.465`	`13`	`3`	`0`	`0.616`
3	`5`		B	`44`	`13`	`10536`	`◊`	D	x-y+1,-y+2,-z+2/3	`6_675`	`35`	`9`	`7012`	`390.6`	`-0.3`	`0.747`	`8`	`0`	`0`	`0.000`
	`6`		E	`36`	`12`	`10640`	`◊`	A	x-y+1,-y+2,-z+2/3	`6_675`	`31`	`8`	`7020`	`339.1`	`0.1`	`0.768`	`7`	`0`	`0`	`0.000`
	*Average:*													`364.8`	`-0.1`	`0.758`	`8`	`0`	`0`	`0.000`
4	`7`		E	`51`	`15`	`10640`	`◊`	E	-x+2,-x+y+1,-z+1/3	`5_765`	`51`	`15`	`10640`	`360.4`	`1.4`	`0.938`	`6`	`4`	`0`	`0.000`
5	`8`		E	`44`	`14`	`10640`	`◊`	A	x,y,z	`1_555`	`32`	`12`	`7020`	`349.0`	`-3.1`	`0.529`	`5`	`0`	`0`	`0.050`
	`9`		B	`47`	`14`	`10536`	`◊`	D	x,y,z	`1_555`	`32`	`13`	`7012`	`341.6`	`-3.4`	`0.518`	`4`	`0`	`0`	`0.050`
	*Average:*													`345.3`	`-3.3`	`0.524`	`5`	`0`	`0`	`0.050`
6	`10`		B	`35`	`9`	`10536`	`◊`	A	x-y,-y+1,-z+2/3	`6_565`	`42`	`12`	`7020`	`336.6`	`-0.3`	`0.748`	`6`	`0`	`0`	`0.000`
7	`11`		C	`22`	`6`	`6035`	`◊`	D	x,y,z	`1_555`	`34`	`13`	`7012`	`298.7`	`-4.6`	`0.225`	`3`	`0`	`0`	`0.058`
	`12`		F	`21`	`6`	`6036`	`◊`	A	x,y,z	`1_555`	`35`	`13`	`7020`	`289.8`	`-4.9`	`0.195`	`3`	`0`	`0`	`0.058`
	*Average:*													`294.2`	`-4.7`	`0.210`	`3`	`0`	`0`	`0.058`
8	`13`		C	`34`	`9`	`6035`	`◊`	A	x,y,z	`1_555`	`40`	`12`	`7020`	`297.4`	`-5.5`	`0.283`	`2`	`0`	`0`	`0.068`
	`14`		F	`33`	`9`	`6036`	`◊`	D	x,y,z	`1_555`	`40`	`11`	`7012`	`296.8`	`-5.5`	`0.283`	`2`	`0`	`0`	`0.068`
	*Average:*													`297.1`	`-5.5`	`0.283`	`2`	`0`	`0`	`0.068`
9	`15`		[U6B]B:1368	`15`	`1`	`595`	`cf`	B	x,y,z	`1_555`	`24`	`12`	`10536`	`200.6`	`-1.9`	`0.218`	`2`	`0`	`0`	`0.124`
	`16`		[U6B]F:1440	`15`	`1`	`592`	`cf`	E	x,y,z	`1_555`	`24`	`12`	`10640`	`184.7`	`-1.9`	`0.229`	`2`	`0`	`0`	`0.124`
	*Average:*													`192.6`	`-1.9`	`0.224`	`2`	`0`	`0`	`0.124`
10	`17`		D	`22`	`8`	`7012`	`◊`	A	x,y,z	`1_555`	`23`	`8`	`7020`	`189.3`	`1.9`	`0.829`	`3`	`0`	`0`	`0.000`
11	`18`		B	`22`	`6`	`10536`	`◊`	B	x-y+1,-y+2,-z+2/3	`6_675`	`22`	`6`	`10536`	`169.3`	`0.5`	`0.842`	`0`	`0`	`0`	`0.000`
	`19`		E	`1`	`1`	`10640`	`◊`	E	x-y+1,-y+2,-z+2/3	`6_675`	`1`	`1`	`10640`	`2.0`	`0.0`	`0.722`	`0`	`0`	`0`	`0.000`
	*Average:*													`85.7`	`0.3`	`0.782`	`0`	`0`	`0`	`0.000`
12	`20`		C	`22`	`4`	`6035`	`◊`	A	x-y,-y+1,-z+2/3	`6_565`	`17`	`5`	`7020`	`149.5`	`-2.1`	`0.481`	`0`	`0`	`0`	`0.000`
13	`21`		F	`19`	`6`	`6036`	`◊`	E	-x+2,-x+y+1,-z+1/3	`5_765`	`12`	`5`	`10640`	`140.4`	`-1.3`	`0.635`	`1`	`0`	`0`	`0.000`
14	`22`		[U6B]B:1368	`12`	`1`	`595`	`◊`	C	x,y,z	`1_555`	`20`	`6`	`6035`	`128.9`	`0.4`	`0.535`	`3`	`0`	`0`	`0.013`
	`23`		[U6B]F:1440	`12`	`1`	`592`	`◊`	F	x,y,z	`1_555`	`20`	`6`	`6036`	`120.5`	`0.4`	`0.539`	`2`	`0`	`0`	`0.013`
	*Average:*													`124.7`	`0.4`	`0.537`	`3`	`0`	`0`	`0.013`
15	`24`		[U6B]B:1368	`17`	`1`	`595`	`◊`	A	x,y,z	`1_555`	`19`	`4`	`7020`	`128.3`	`0.2`	`0.423`	`1`	`0`	`0`	`0.016`
	`25`		[U6B]F:1440	`18`	`1`	`592`	`◊`	D	x,y,z	`1_555`	`21`	`6`	`7012`	`120.3`	`0.1`	`0.423`	`1`	`0`	`0`	`0.016`
	*Average:*													`124.3`	`0.1`	`0.423`	`1`	`0`	`0`	`0.016`
16	`26`		[U6B]F:1440	`15`	`1`	`592`	`◊`	E	-x+2,-x+y+1,-z+1/3	`5_765`	`16`	`4`	`10640`	`125.8`	`0.5`	`0.438`	`0`	`0`	`0`	`0.000`
17	`27`		E	`10`	`3`	`10640`	`◊`	D	-x+2,-x+y+1,-z+1/3	`5_765`	`15`	`5`	`7012`	`94.1`	`-0.5`	`0.597`	`0`	`0`	`0`	`0.000`
18	`28`		[NAG]D:1119	`7`	`1`	`359`	`cf`	D	x,y,z	`1_555`	`6`	`2`	`7012`	`85.7`	`1.9`	`0.383`	`1`	`0`	`0`	`0.000`
19	`29`		[NAG]E:1368	`11`	`1`	`364`	`cf`	E	x,y,z	`1_555`	`7`	`3`	`10640`	`82.5`	`1.5`	`0.204`	`0`	`0`	`0`	`0.000`
	`30`		[NAG]B:1367	`10`	`1`	`365`	`cf`	B	x,y,z	`1_555`	`6`	`2`	`10536`	`72.4`	`1.9`	`0.290`	`0`	`0`	`0`	`0.000`
	*Average:*													`77.5`	`1.7`	`0.247`	`0`	`0`	`0`	`0.000`
20	`31`		[NAG]D:1119	`8`	`1`	`359`	`◊`	F	x,y,z	`1_555`	`11`	`3`	`6036`	`76.3`	`1.3`	`0.321`	`0`	`0`	`0`	`0.000`
21	`32`		F	`11`	`3`	`6036`	`◊`	C	x-y+1,-y+2,-z+2/3	`6_675`	`13`	`4`	`6035`	`75.0`	`-1.3`	`0.573`	`0`	`0`	`0`	`0.000`
22	`33`		[NAG]B:1367	`6`	`1`	`365`	`◊`	B	x-y+1,-y+2,-z+2/3	`6_675`	`10`	`4`	`10536`	`72.5`	`2.1`	`0.546`	`1`	`0`	`0`	`0.000`
23	`34`		[NAG]A:1119	`7`	`1`	`359`	`cf`	A	x,y,z	`1_555`	`6`	`2`	`7020`	`66.7`	`1.8`	`0.405`	`0`	`0`	`0`	`0.000`
24	`35`		F	`9`	`6`	`6036`	`◊`	A	x-y+1,-y+2,-z+2/3	`6_675`	`6`	`4`	`7020`	`58.9`	`-0.2`	`0.618`	`0`	`0`	`0`	`0.000`
	`36`		C	`9`	`5`	`6035`	`◊`	D	x-y+1,-y+2,-z+2/3	`6_675`	`5`	`3`	`7012`	`57.6`	`-0.2`	`0.641`	`0`	`0`	`0`	`0.000`
	*Average:*													`58.3`	`-0.2`	`0.630`	`0`	`0`	`0`	`0.000`
25	`37`		[NAG]A:1119	`9`	`1`	`359`	`◊`	C	x,y,z	`1_555`	`11`	`3`	`6035`	`54.9`	`0.5`	`0.247`	`0`	`0`	`0`	`0.000`
26	`38`		[CL]E:1369	`1`	`1`	`125`	`f`	E	x,y,z	`1_555`	`9`	`4`	`10640`	`51.1`	`-7.7`	`0.000`	`0`	`0`	`0`	`0.337`
	`39`		[CL]B:1369	`1`	`1`	`125`	`f`	B	x,y,z	`1_555`	`8`	`4`	`10536`	`50.7`	`-7.7`	`0.000`	`0`	`0`	`0`	`0.337`
	*Average:*													`50.9`	`-7.7`	`0.000`	`0`	`0`	`0`	`0.337`
27	`40`		[NAG]B:1367	`5`	`1`	`365`	`◊`	D	x,y,z	`1_555`	`6`	`2`	`7012`	`50.7`	`1.3`	`0.452`	`0`	`0`	`0`	`0.000`
28	`41`		[NAG]E:1368	`5`	`1`	`364`	`◊`	A	x,y,z	`1_555`	`7`	`2`	`7020`	`46.0`	`1.4`	`0.449`	`0`	`0`	`0`	`0.000`
29	`42`		[NAG]E:1368	`5`	`1`	`364`	`◊`	E	x-y+1,-y+2,-z+2/3	`6_675`	`6`	`3`	`10640`	`43.4`	`1.5`	`0.446`	`0`	`0`	`0`	`0.000`
30	`43`		F	`4`	`1`	`6036`	`◊`	D	-x+2,-x+y+1,-z+1/3	`5_765`	`2`	`1`	`7012`	`36.8`	`0.8`	`0.889`	`0`	`0`	`0`	`0.000`
31	`44`		[CL]B:1369	`1`	`1`	`125`	`◊`	C	x,y,z	`1_555`	`5`	`2`	`6035`	`33.7`	`-4.1`	`0.000`	`0`	`0`	`0`	`0.054`
	`45`		[CL]E:1369	`1`	`1`	`125`	`◊`	F	x,y,z	`1_555`	`5`	`2`	`6036`	`33.4`	`-4.0`	`0.000`	`0`	`0`	`0`	`0.054`
	*Average:*													`33.6`	`-4.1`	`0.000`	`0`	`0`	`0`	`0.054`
32	`46`		D	`3`	`1`	`7012`	`◊`	A	x-y+1,-y+2,-z+2/3	`6_675`	`3`	`1`	`7020`	`24.1`	`-0.8`	`0.208`	`0`	`0`	`0`	`0.000`
33	`47`		[CL]E:1369	`1`	`1`	`125`	`◊`	D	x,y,z	`1_555`	`4`	`2`	`7012`	`16.1`	`-1.8`	`0.000`	`0`	`0`	`0`	`0.079`
	`48`		[CL]B:1369	`1`	`1`	`125`	`◊`	A	x,y,z	`1_555`	`3`	`2`	`7020`	`15.1`	`-1.7`	`0.000`	`0`	`0`	`0`	`0.079`
	*Average:*													`15.6`	`-1.7`	`0.000`	`0`	`0`	`0`	`0.079`
34	`49`		[NAG]D:1119	`1`	`1`	`359`	`◊`	E	-x+2,-x+y+1,-z+1/3	`5_765`	`2`	`1`	`10640`	`13.4`	`0.5`	`0.718`	`0`	`0`	`0`	`0.000`
35	`50`		[U6B]F:1440	`3`	`1`	`592`	`◊`	[NAG]D:1119	x,y,z	`1_555`	`2`	`1`	`359`	`9.6`	`0.3`	`0.294`	`0`	`0`	`0`	`0.000`
36	`51`		E	`1`	`1`	`10640`	`◊`	B	x-y+1,-y+2,-z+2/3	`6_675`	`1`	`1`	`10536`	`3.8`	`-0.1`	`0.424`	`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