PDBe < PISA < EMBL-EBI

PISA Interface List.

Session Map (id=123-H4-CM5)

Interfaces in PDB 3h8b crystal.
Space symmetry group: C 1 2 1. Resolution: 1.80 Å

A COMBINED CRYSTALLOGRAPHIC AND MOLECULAR DYNAMICS STUDY OF CATHEPSIN-L RETRO-BINDING INHIBITORS(COMPOUND 9)

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`		[NSY]F:800	`63`	`1`	`1431`	`f`	F	x,y,z	`1_555`	`90`	`30`	`9789`	`688.0`	`-8.4`	`0.312`	`8`	`0`	`0`	`0.100`
	`2`		[NSY]E:700	`63`	`1`	`1432`	`f`	E	x,y,z	`1_555`	`93`	`30`	`9764`	`683.3`	`-8.3`	`0.319`	`8`	`0`	`0`	`0.100`
	`3`		[NSY]B:400	`61`	`1`	`1431`	`f`	B	x,y,z	`1_555`	`87`	`29`	`9741`	`682.3`	`-8.1`	`0.307`	`7`	`0`	`0`	`0.100`
	`4`		[NSY]A:300	`60`	`1`	`1421`	`f`	A	x,y,z	`1_555`	`88`	`29`	`9740`	`681.8`	`-8.1`	`0.307`	`8`	`0`	`0`	`0.100`
	`5`		[NSY]D:600	`64`	`1`	`1429`	`f`	D	x,y,z	`1_555`	`87`	`30`	`9758`	`671.5`	`-7.8`	`0.321`	`7`	`0`	`0`	`0.100`
	`6`		[NSY]C:500	`63`	`1`	`1433`	`f`	C	x,y,z	`1_555`	`87`	`30`	`9769`	`670.6`	`-8.0`	`0.315`	`8`	`0`	`0`	`0.100`
	*Average:*													`679.6`	`-8.1`	`0.314`	`8`	`0`	`0`	`0.100`
2	`7`		E	`56`	`20`	`9764`	`◊`	A	x,y,z	`1_555`	`64`	`23`	`9740`	`546.7`	`-0.0`	`0.699`	`5`	`0`	`0`	`0.000`
	`8`		A	`63`	`20`	`9740`	`◊`	E	x-1/2,y-1/2,z	`3_445`	`68`	`23`	`9764`	`541.8`	`0.1`	`0.712`	`5`	`0`	`0`	`0.000`
	`9`		B	`61`	`19`	`9741`	`◊`	F	x-1/2,y+1/2,z	`3_455`	`65`	`23`	`9789`	`539.9`	`0.1`	`0.713`	`4`	`0`	`0`	`0.000`
	`10`		F	`58`	`20`	`9789`	`◊`	B	x,y,z	`1_555`	`64`	`23`	`9741`	`539.3`	`-0.5`	`0.670`	`5`	`0`	`0`	`0.000`
	*Average:*													`541.9`	`-0.1`	`0.698`	`5`	`0`	`0`	`0.000`
3	`11`		E	`56`	`14`	`9764`	`◊`	D	x,y,z	`1_555`	`54`	`15`	`9758`	`507.9`	`-1.9`	`0.504`	`5`	`0`	`0`	`0.000`
	`12`		F	`55`	`15`	`9789`	`◊`	C	x,y,z	`1_555`	`58`	`14`	`9769`	`505.5`	`-2.4`	`0.466`	`4`	`0`	`0`	`0.000`
	`13`		A	`53`	`13`	`9740`	`◊`	A	-x,y,-z	`2_555`	`53`	`13`	`9740`	`477.4`	`-2.3`	`0.483`	`4`	`0`	`0`	`0.000`
	`14`		B	`52`	`13`	`9741`	`◊`	B	-x,y,-z+1	`2_556`	`52`	`13`	`9741`	`472.4`	`-2.2`	`0.482`	`4`	`0`	`0`	`0.000`
	*Average:*													`490.8`	`-2.2`	`0.484`	`4`	`0`	`0`	`0.000`
4	`15`		D	`40`	`14`	`9758`	`◊`	B	x,y,z	`1_555`	`53`	`19`	`9741`	`388.7`	`0.7`	`0.743`	`7`	`0`	`0`	`0.000`
	`16`		C	`39`	`14`	`9769`	`◊`	A	x,y,z	`1_555`	`51`	`18`	`9740`	`384.2`	`1.3`	`0.782`	`7`	`0`	`0`	`0.000`
	*Average:*													`386.5`	`1.0`	`0.762`	`7`	`0`	`0`	`0.000`
5	`17`		C	`38`	`13`	`9769`	`◊`	D	x-1/2,y-1/2,z	`3_445`	`44`	`18`	`9758`	`330.9`	`2.3`	`0.826`	`3`	`0`	`0`	`0.000`
	`18`		D	`37`	`13`	`9758`	`◊`	C	x-1/2,y+1/2,z	`3_455`	`45`	`17`	`9769`	`291.6`	`1.4`	`0.776`	`3`	`0`	`0`	`0.000`
	*Average:*													`311.3`	`1.8`	`0.801`	`3`	`0`	`0`	`0.000`
6	`19`		E	`35`	`11`	`9764`	`◊`	E	-x,y,-z	`2_555`	`35`	`11`	`9764`	`252.3`	`-0.1`	`0.637`	`0`	`0`	`0`	`0.000`
	`20`		F	`33`	`10`	`9789`	`◊`	F	-x,y,-z+1	`2_556`	`33`	`10`	`9789`	`231.6`	`-1.6`	`0.482`	`0`	`0`	`0`	`0.000`
	*Average:*													`242.0`	`-0.9`	`0.560`	`0`	`0`	`0`	`0.000`
7	`21`		[NSY]A:300	`27`	`1`	`1421`	`◊`	[NSY]A:300	-x,y,-z	`2_555`	`28`	`1`	`1421`	`197.6`	`0.9`	`0.854`	`0`	`0`	`0`	`0.000`
	`22`		[NSY]B:400	`26`	`1`	`1431`	`◊`	[NSY]B:400	-x,y,-z+1	`2_556`	`27`	`1`	`1431`	`191.1`	`0.3`	`0.819`	`0`	`0`	`0`	`0.000`
	`23`		[NSY]F:800	`29`	`1`	`1431`	`◊`	[NSY]C:500	x,y,z	`1_555`	`27`	`1`	`1433`	`184.9`	`0.9`	`0.855`	`0`	`0`	`0`	`0.000`
	`24`		[NSY]E:700	`29`	`1`	`1432`	`◊`	[NSY]D:600	x,y,z	`1_555`	`26`	`1`	`1429`	`183.6`	`0.9`	`0.852`	`0`	`0`	`0`	`0.000`
	*Average:*													`189.3`	`0.8`	`0.845`	`0`	`0`	`0`	`0.000`
8	`25`		D	`20`	`5`	`9758`	`◊`	C	x,y,z	`1_555`	`19`	`5`	`9769`	`173.3`	`-0.9`	`0.513`	`4`	`0`	`0`	`0.000`
9	`26`		C	`20`	`8`	`9769`	`◊`	D	x,y-1,z	`1_545`	`20`	`8`	`9758`	`163.9`	`0.8`	`0.744`	`2`	`0`	`0`	`0.000`
10	`27`		[NSY]A:300	`16`	`1`	`1421`	`◊`	E	x-1/2,y-1/2,z	`3_445`	`21`	`8`	`9764`	`155.8`	`-2.0`	`0.478`	`0`	`0`	`0`	`0.000`
	`28`		[NSY]B:400	`16`	`1`	`1431`	`◊`	F	x-1/2,y+1/2,z	`3_455`	`20`	`8`	`9789`	`154.8`	`-1.9`	`0.484`	`0`	`0`	`0`	`0.000`
	`29`		[NSY]F:800	`15`	`1`	`1431`	`◊`	B	x,y,z	`1_555`	`21`	`8`	`9741`	`152.9`	`-1.8`	`0.507`	`1`	`0`	`0`	`0.000`
	`30`		[NSY]E:700	`15`	`1`	`1432`	`◊`	A	x,y,z	`1_555`	`21`	`8`	`9740`	`152.3`	`-1.7`	`0.513`	`1`	`0`	`0`	`0.000`
	*Average:*													`154.0`	`-1.8`	`0.495`	`1`	`0`	`0`	`0.000`
11	`31`		[NSY]C:500	`15`	`1`	`1433`	`◊`	D	x-1/2,y-1/2,z	`3_445`	`21`	`6`	`9758`	`151.7`	`-1.9`	`0.473`	`0`	`0`	`0`	`0.000`
	`32`		[NSY]D:600	`15`	`1`	`1429`	`◊`	C	x-1/2,y+1/2,z	`3_455`	`20`	`5`	`9769`	`149.5`	`-1.8`	`0.487`	`0`	`0`	`0`	`0.000`
	*Average:*													`150.6`	`-1.8`	`0.480`	`0`	`0`	`0`	`0.000`
12	`33`		[NSY]A:300	`11`	`1`	`1421`	`◊`	A	-x,y,-z	`2_555`	`26`	`7`	`9740`	`141.4`	`-3.2`	`0.231`	`0`	`0`	`0`	`0.000`
	`34`		[NSY]B:400	`11`	`1`	`1431`	`◊`	B	-x,y,-z+1	`2_556`	`25`	`6`	`9741`	`139.3`	`-3.4`	`0.215`	`0`	`0`	`0`	`0.000`
	*Average:*													`140.4`	`-3.3`	`0.223`	`0`	`0`	`0`	`0.000`
13	`35`		[NSY]C:500	`11`	`1`	`1433`	`◊`	F	x,y,z	`1_555`	`26`	`6`	`9789`	`137.4`	`-3.3`	`0.218`	`0`	`0`	`0`	`0.000`
	`36`		[NSY]D:600	`11`	`1`	`1429`	`◊`	E	x,y,z	`1_555`	`26`	`6`	`9764`	`137.1`	`-3.3`	`0.215`	`0`	`0`	`0`	`0.000`
	`37`		[NSY]F:800	`9`	`1`	`1431`	`◊`	C	x,y,z	`1_555`	`25`	`6`	`9769`	`136.6`	`-3.2`	`0.182`	`0`	`0`	`0`	`0.000`
	`38`		[NSY]E:700	`8`	`1`	`1432`	`◊`	D	x,y,z	`1_555`	`26`	`6`	`9758`	`135.2`	`-3.2`	`0.156`	`0`	`0`	`0`	`0.000`
	*Average:*													`136.6`	`-3.3`	`0.193`	`0`	`0`	`0`	`0.000`
14	`39`		F	`8`	`4`	`9789`	`◊`	B	x-1/2,y-1/2,z	`3_445`	`8`	`4`	`9741`	`54.8`	`-0.8`	`0.419`	`0`	`0`	`0`	`0.000`
	`40`		E	`6`	`4`	`9764`	`◊`	A	x-1/2,y+1/2,z	`3_455`	`8`	`4`	`9740`	`52.1`	`-0.8`	`0.372`	`0`	`0`	`0`	`0.000`
	*Average:*													`53.4`	`-0.8`	`0.396`	`0`	`0`	`0`	`0.000`
15	`41`		B	`12`	`6`	`9741`	`◊`	C	x-1/2,y+1/2,z	`3_455`	`6`	`2`	`9769`	`52.7`	`0.7`	`0.777`	`0`	`0`	`0`	`0.000`
	`42`		A	`11`	`5`	`9740`	`◊`	D	x-1/2,y-1/2,z	`3_445`	`6`	`2`	`9758`	`49.3`	`0.5`	`0.733`	`0`	`0`	`0`	`0.000`
	*Average:*													`51.0`	`0.6`	`0.755`	`0`	`0`	`0`	`0.000`
16	`43`		F	`7`	`3`	`9789`	`◊`	F	-x+1,y,-z+1	`2_656`	`7`	`3`	`9789`	`29.3`	`-0.9`	`0.354`	`0`	`0`	`0`	`0.000`
	`44`		E	`7`	`3`	`9764`	`◊`	E	-x+1,y,-z	`2_655`	`7`	`3`	`9764`	`21.6`	`-0.5`	`0.468`	`0`	`0`	`0`	`0.000`
	*Average:*													`25.4`	`-0.7`	`0.411`	`0`	`0`	`0`	`0.000`
17	`45`		F	`3`	`2`	`9789`	`◊`	[NSY]B:400	-x+1/2,y-1/2,-z+1	`4_546`	`2`	`1`	`1431`	`18.2`	`0.0`	`0.642`	`0`	`0`	`0`	`0.000`
	`46`		[NSY]A:300	`2`	`1`	`1421`	`◊`	E	-x+1/2,y-1/2,-z	`4_545`	`3`	`2`	`9764`	`5.4`	`-0.0`	`0.641`	`0`	`0`	`0`	`0.000`
	*Average:*													`11.8`	`0.0`	`0.641`	`0`	`0`	`0`	`0.000`
18	`47`		A	`3`	`2`	`9740`	`◊`	E	x-1,y,z	`1_455`	`3`	`2`	`9764`	`11.7`	`0.1`	`0.640`	`0`	`0`	`0`	`0.000`
	`48`		B	`2`	`1`	`9741`	`◊`	F	x-1,y,z	`1_455`	`2`	`1`	`9789`	`9.4`	`-0.0`	`0.550`	`0`	`0`	`0`	`0.000`
	*Average:*													`10.6`	`0.0`	`0.595`	`0`	`0`	`0`	`0.000`
19	`49`		F	`4`	`2`	`9789`	`◊`	B	-x+1/2,y-1/2,-z+1	`4_546`	`1`	`1`	`9741`	`9.9`	`0.1`	`0.717`	`0`	`0`	`0`	`0.000`
	`50`		A	`2`	`1`	`9740`	`◊`	E	-x+1/2,y-1/2,-z	`4_545`	`4`	`2`	`9764`	`9.7`	`0.1`	`0.675`	`0`	`0`	`0`	`0.000`
	*Average:*													`9.8`	`0.1`	`0.696`	`0`	`0`	`0`	`0.000`
20	`51`		A	`3`	`2`	`9740`	`◊`	C	x-1/2,y+1/2,z	`3_455`	`2`	`2`	`9769`	`3.5`	`-0.1`	`0.547`	`0`	`0`	`0`	`0.000`
	`52`		B	`2`	`1`	`9741`	`◊`	D	x-1/2,y-1/2,z	`3_445`	`1`	`1`	`9758`	`2.7`	`-0.1`	`0.478`	`0`	`0`	`0`	`0.000`
	*Average:*													`3.1`	`-0.1`	`0.512`	`0`	`0`	`0`	`0.000`
21	`53`		F	`1`	`1`	`9789`	`◊`	B	-x,y,-z+1	`2_556`	`1`	`1`	`9741`	`2.8`	`0.1`	`0.754`	`0`	`0`	`0`	`0.000`
	`54`		E	`2`	`1`	`9764`	`◊`	A	-x,y,-z	`2_555`	`1`	`1`	`9740`	`2.6`	`0.1`	`0.717`	`0`	`0`	`0`	`0.000`
	*Average:*													`2.7`	`0.1`	`0.736`	`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