PDBe < PISA < EMBL-EBI

PISA Interface List.

Session Map (id=542-EK-L1H)

Interfaces in PDB 4cdf crystal.
Space symmetry group: P 31 2 1. Resolution: 2.20 Å

HUMAN DPP1 IN COMPLEX WITH (2S,4S)-N-((1S)-1-CYANO-2-(4-(4- CYANOPHENYL)PHENYL)ETHYL)-4-HYDROXY-PIPERIDINE-2-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`		C	`287`	`60`	`6087`	`◊`	B	x,y,z	`1_555`	`317`	`76`	`10630`	`2892.2`	`-41.3`	`0.394`	`48`	`3`	`0`	`0.816`
	`2`		F	`286`	`59`	`6087`	`◊`	E	x,y,z	`1_555`	`311`	`75`	`10790`	`2878.9`	`-41.7`	`0.386`	`46`	`3`	`0`	`0.816`
	*Average:*													`2885.5`	`-41.5`	`0.390`	`47`	`3`	`0`	`0.816`
2	`3`		B	`91`	`21`	`10630`	`◊`	A	x,y,z	`1_555`	`97`	`24`	`7291`	`844.3`	`-7.3`	`0.467`	`13`	`3`	`0`	`0.630`
	`4`		E	`91`	`22`	`10790`	`◊`	D	x,y,z	`1_555`	`98`	`24`	`7156`	`841.2`	`-7.8`	`0.416`	`12`	`3`	`0`	`0.630`
	*Average:*													`842.7`	`-7.5`	`0.441`	`13`	`3`	`0`	`0.630`
3	`5`		E	`46`	`13`	`10790`	`◊`	E	x-y+1,-y+2,-z+2/3	`6_675`	`46`	`13`	`10790`	`426.2`	`-5.8`	`0.478`	`0`	`0`	`0`	`0.013`
	`6`		B	`19`	`6`	`10630`	`◊`	B	x-y+1,-y+2,-z+2/3	`6_675`	`19`	`6`	`10630`	`127.7`	`-0.1`	`0.778`	`0`	`0`	`0`	`0.013`
	*Average:*													`276.9`	`-2.9`	`0.628`	`0`	`0`	`0`	`0.013`
4	`7`		B	`44`	`12`	`10630`	`◊`	D	x-y+1,-y+2,-z+2/3	`6_675`	`37`	`9`	`7156`	`386.5`	`-0.0`	`0.743`	`10`	`0`	`0`	`0.029`
	`8`		E	`38`	`13`	`10790`	`◊`	A	x-y+1,-y+2,-z+2/3	`6_675`	`34`	`9`	`7291`	`366.7`	`0.8`	`0.834`	`6`	`0`	`0`	`0.029`
	*Average:*													`376.6`	`0.4`	`0.788`	`8`	`0`	`0`	`0.029`
5	`9`		B	`40`	`11`	`10630`	`◊`	A	x-y,-y+1,-z+2/3	`6_565`	`40`	`12`	`7291`	`362.1`	`-0.3`	`0.764`	`7`	`0`	`0`	`0.000`
6	`10`		E	`41`	`11`	`10790`	`◊`	A	x,y,z	`1_555`	`31`	`11`	`7291`	`341.2`	`-3.5`	`0.477`	`3`	`0`	`0`	`0.047`
	`11`		B	`36`	`10`	`10630`	`◊`	D	x,y,z	`1_555`	`31`	`11`	`7156`	`322.4`	`-3.6`	`0.404`	`3`	`0`	`0`	`0.047`
	*Average:*													`331.8`	`-3.6`	`0.440`	`3`	`0`	`0`	`0.047`
7	`12`		E	`42`	`14`	`10790`	`◊`	E	-x+2,-x+y+1,-z+1/3	`5_765`	`43`	`14`	`10790`	`298.1`	`1.6`	`0.943`	`2`	`2`	`0`	`0.000`
8	`13`		C	`23`	`6`	`6087`	`◊`	D	x,y,z	`1_555`	`32`	`12`	`7156`	`298.1`	`-4.6`	`0.225`	`3`	`0`	`0`	`0.060`
	`14`		F	`22`	`6`	`6087`	`◊`	A	x,y,z	`1_555`	`35`	`13`	`7291`	`292.8`	`-5.9`	`0.153`	`2`	`0`	`0`	`0.060`
	*Average:*													`295.5`	`-5.3`	`0.189`	`3`	`0`	`0`	`0.060`
9	`15`		C	`32`	`9`	`6087`	`◊`	A	x,y,z	`1_555`	`40`	`12`	`7291`	`285.0`	`-5.6`	`0.261`	`2`	`0`	`0`	`0.067`
	`16`		F	`31`	`9`	`6087`	`◊`	D	x,y,z	`1_555`	`38`	`10`	`7156`	`272.8`	`-5.4`	`0.243`	`2`	`0`	`0`	`0.067`
	*Average:*													`278.9`	`-5.5`	`0.252`	`2`	`0`	`0`	`0.067`
10	`17`		[W2C]B:1369	`18`	`1`	`619`	`cf`	B	x,y,z	`1_555`	`25`	`12`	`10630`	`216.5`	`-3.1`	`0.162`	`1`	`0`	`0`	`0.174`
	`18`		[W2C]E:1369	`18`	`1`	`617`	`cf`	E	x,y,z	`1_555`	`24`	`12`	`10790`	`203.2`	`-2.9`	`0.177`	`2`	`0`	`0`	`0.174`
	*Average:*													`209.9`	`-3.0`	`0.169`	`2`	`0`	`0`	`0.174`
11	`19`		D	`19`	`7`	`7156`	`◊`	A	x,y,z	`1_555`	`18`	`6`	`7291`	`177.9`	`1.9`	`0.826`	`3`	`0`	`0`	`0.000`
12	`20`		[W2C]B:1369	`17`	`1`	`619`	`◊`	A	x,y,z	`1_555`	`23`	`5`	`7291`	`145.5`	`-0.5`	`0.369`	`0`	`0`	`0`	`0.021`
	`21`		[W2C]E:1369	`18`	`1`	`617`	`◊`	D	x,y,z	`1_555`	`20`	`4`	`7156`	`131.1`	`-0.5`	`0.351`	`0`	`0`	`0`	`0.021`
	*Average:*													`138.3`	`-0.5`	`0.360`	`0`	`0`	`0`	`0.021`
13	`22`		F	`20`	`7`	`6087`	`◊`	E	-x+2,-x+y+1,-z+1/3	`5_765`	`11`	`4`	`10790`	`145.3`	`-1.6`	`0.608`	`1`	`0`	`0`	`0.000`
14	`23`		C	`23`	`4`	`6087`	`◊`	A	x-y,-y+1,-z+2/3	`6_565`	`17`	`5`	`7291`	`144.9`	`-2.1`	`0.485`	`0`	`0`	`0`	`0.000`
15	`24`		[W2C]B:1369	`13`	`1`	`619`	`◊`	C	x,y,z	`1_555`	`18`	`5`	`6087`	`130.1`	`0.8`	`0.573`	`3`	`0`	`0`	`0.007`
	`25`		[W2C]E:1369	`13`	`1`	`617`	`◊`	F	x,y,z	`1_555`	`18`	`5`	`6087`	`113.9`	`0.8`	`0.584`	`3`	`0`	`0`	`0.007`
	*Average:*													`122.0`	`0.8`	`0.579`	`3`	`0`	`0`	`0.007`
16	`26`		[W2C]E:1369	`15`	`1`	`617`	`◊`	E	-x+2,-x+y+1,-z+1/3	`5_765`	`17`	`4`	`10790`	`123.6`	`0.8`	`0.563`	`0`	`0`	`0`	`0.000`
17	`27`		[NAG]D:1119	`12`	`1`	`365`	`cf`	D	x,y,z	`1_555`	`14`	`5`	`7156`	`121.7`	`3.8`	`0.404`	`0`	`0`	`0`	`0.000`
18	`28`		[NAG]A:1121	`11`	`1`	`360`	`cf`	A	x,y,z	`1_555`	`13`	`7`	`7291`	`120.0`	`2.5`	`0.286`	`0`	`0`	`0`	`0.000`
19	`29`		F	`13`	`3`	`6087`	`◊`	C	x-y+1,-y+2,-z+2/3	`6_675`	`15`	`4`	`6087`	`108.2`	`-1.3`	`0.619`	`0`	`0`	`0`	`0.006`
20	`30`		[NAG]E:1368	`11`	`1`	`365`	`cf`	E	x,y,z	`1_555`	`8`	`2`	`10790`	`74.9`	`1.8`	`0.231`	`0`	`0`	`0`	`0.000`
21	`31`		[NAG]B:1368	`5`	`1`	`366`	`◊`	B	x-y+1,-y+2,-z+2/3	`6_675`	`9`	`4`	`10630`	`74.7`	`1.4`	`0.446`	`0`	`0`	`0`	`0.000`
22	`32`		F	`9`	`5`	`6087`	`◊`	A	x-y+1,-y+2,-z+2/3	`6_675`	`6`	`4`	`7291`	`65.6`	`-0.3`	`0.610`	`0`	`0`	`0`	`0.003`
	`33`		C	`9`	`5`	`6087`	`◊`	D	x-y+1,-y+2,-z+2/3	`6_675`	`5`	`3`	`7156`	`51.6`	`-0.4`	`0.579`	`0`	`0`	`0`	`0.003`
	*Average:*													`58.6`	`-0.3`	`0.594`	`0`	`0`	`0`	`0.003`
23	`34`		[NAG]B:1368	`9`	`1`	`366`	`cf`	B	x,y,z	`1_555`	`6`	`2`	`10630`	`59.3`	`1.8`	`0.286`	`0`	`0`	`0`	`0.000`
24	`35`		[NAG]E:1368	`5`	`1`	`365`	`◊`	A	x,y,z	`1_555`	`6`	`2`	`7291`	`57.5`	`1.5`	`0.421`	`0`	`0`	`0`	`0.000`
25	`36`		[NAG]B:1368	`4`	`1`	`366`	`◊`	D	x,y,z	`1_555`	`6`	`2`	`7156`	`52.7`	`1.3`	`0.485`	`0`	`0`	`0`	`0.000`
26	`37`		[CL]E:1370	`1`	`1`	`125`	`f`	E	x,y,z	`1_555`	`9`	`4`	`10790`	`51.2`	`-7.7`	`0.000`	`0`	`0`	`0`	`0.356`
	`38`		[CL]B:1370	`1`	`1`	`125`	`f`	B	x,y,z	`1_555`	`9`	`4`	`10630`	`50.5`	`-7.4`	`0.000`	`0`	`0`	`0`	`0.356`
	*Average:*													`50.8`	`-7.6`	`0.000`	`0`	`0`	`0`	`0.356`
27	`39`		[CL]E:1370	`1`	`1`	`125`	`◊`	F	x,y,z	`1_555`	`4`	`2`	`6087`	`34.4`	`-4.2`	`0.000`	`0`	`0`	`0`	`0.054`
	`40`		[CL]B:1370	`1`	`1`	`125`	`◊`	C	x,y,z	`1_555`	`3`	`2`	`6087`	`33.3`	`-4.0`	`0.000`	`0`	`0`	`0`	`0.054`
	*Average:*													`33.8`	`-4.1`	`0.000`	`0`	`0`	`0`	`0.054`
28	`41`		[NAG]E:1368	`4`	`1`	`365`	`◊`	E	x-y+1,-y+2,-z+2/3	`6_675`	`3`	`1`	`10790`	`31.5`	`0.8`	`0.425`	`0`	`0`	`0`	`0.000`
29	`42`		B	`3`	`2`	`10630`	`◊`	[NAG]A:1121	x-y,-y+1,-z+2/3	`6_565`	`5`	`1`	`360`	`29.1`	`0.0`	`0.172`	`0`	`0`	`0`	`0.000`
30	`43`		D	`3`	`1`	`7156`	`◊`	A	x-y+1,-y+2,-z+2/3	`6_675`	`3`	`1`	`7291`	`23.2`	`-0.7`	`0.208`	`0`	`0`	`0`	`0.003`
31	`44`		E	`3`	`1`	`10790`	`◊`	D	-x+2,-x+y+1,-z+1/3	`5_765`	`4`	`3`	`7156`	`18.1`	`0.2`	`0.704`	`0`	`0`	`0`	`0.000`
32	`45`		[CL]B:1370	`1`	`1`	`125`	`◊`	A	x,y,z	`1_555`	`3`	`2`	`7291`	`15.8`	`-1.7`	`0.000`	`0`	`0`	`0`	`0.076`
	`46`		[CL]E:1370	`1`	`1`	`125`	`◊`	D	x,y,z	`1_555`	`2`	`2`	`7156`	`10.2`	`-1.1`	`0.000`	`0`	`0`	`0`	`0.076`
	*Average:*													`13.0`	`-1.4`	`0.000`	`0`	`0`	`0`	`0.076`
33	`47`		[CL]E:1370	`1`	`1`	`125`	`f`	[W2C]E:1369	x,y,z	`1_555`	`1`	`1`	`617`	`5.5`	`-0.6`	`0.000`	`0`	`0`	`0`	`0.027`
	`48`		[CL]B:1370	`1`	`1`	`125`	`f`	[W2C]B:1369	x,y,z	`1_555`	`1`	`1`	`619`	`5.1`	`-0.5`	`0.000`	`0`	`0`	`0`	`0.027`
	*Average:*													`5.3`	`-0.5`	`0.000`	`0`	`0`	`0`	`0.027`
34	`49`		E	`1`	`1`	`10790`	`◊`	B	x-y+1,-y+2,-z+2/3	`6_675`	`1`	`1`	`10630`	`3.0`	`-0.1`	`0.458`	`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