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PISA Interface List.

Session Map (id=976-IN-M6H)

Interfaces in PDB 5adn crystal.
Space symmetry group: P 21 21 21. Resolution: 2.00 Å

STRUCTURE OF BOVINE ENDOTHELIAL NITRIC OXIDE SYNTHASE HEME DOMAIN IN COMPLEX WITH 7-(((3-((DIMETHYLAMINO)METHYL) PHENYL)AMINO)METHYL)QUINOLIN-2-AMINE

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`		B	`292`	`73`	`20078`	`◊`	A	x,y,z	`1_555`	`295`	`77`	`19831`	`2841.2`	`-33.1`	`0.045`	`34`	`13`	`0`	`0.431`
2	`2`		A	`93`	`26`	`19831`	`◊`	B	-x+1/2,-y,z-1/2	`2_554`	`89`	`27`	`20078`	`735.8`	`-2.6`	`0.657`	`7`	`4`	`0`	`0.000`
3	`3`		[HEM]A:500	`42`	`1`	`833`	`f`	A	x,y,z	`1_555`	`78`	`23`	`19831`	`503.9`	`-17.8`	`0.293`	`3`	`0`	`0`	`0.322`
	`4`		[HEM]B:500	`41`	`1`	`828`	`f`	B	x,y,z	`1_555`	`77`	`24`	`20078`	`501.2`	`-17.5`	`0.291`	`2`	`0`	`0`	`0.322`
	*Average:*													`502.6`	`-17.7`	`0.292`	`3`	`0`	`0`	`0.322`
4	`5`		A	`54`	`17`	`19831`	`x`	A	-x,y-1/2,-z+1/2	`3_545`	`46`	`14`	`19831`	`438.0`	`-5.8`	`0.240`	`1`	`1`	`0`	`0.000`
5	`6`		B	`30`	`9`	`20078`	`x`	B	x-1,y,z	`1_455`	`30`	`8`	`20078`	`323.0`	`-4.9`	`0.167`	`1`	`1`	`0`	`0.000`
6	`7`		[2SN]B:800	`23`	`1`	`536`	`f`	B	x,y,z	`1_555`	`38`	`17`	`20078`	`260.0`	`-2.5`	`0.555`	`3`	`0`	`0`	`0.065`
	`8`		[2SN]A:800	`23`	`1`	`531`	`f`	A	x,y,z	`1_555`	`35`	`16`	`19831`	`258.9`	`-2.5`	`0.524`	`3`	`0`	`0`	`0.065`
	*Average:*													`259.4`	`-2.5`	`0.540`	`3`	`0`	`0`	`0.065`
7	`9`		[H4B]B:600	`17`	`1`	`398`	`f`	B	x,y,z	`1_555`	`30`	`11`	`20078`	`181.5`	`2.4`	`0.521`	`2`	`0`	`0`	`0.000`
	`10`		[H4B]A:600	`17`	`1`	`397`	`f`	A	x,y,z	`1_555`	`27`	`9`	`19831`	`177.6`	`2.4`	`0.519`	`2`	`0`	`0`	`0.000`
	*Average:*													`179.6`	`2.4`	`0.520`	`2`	`0`	`0`	`0.000`
8	`11`		[2SN]B:800	`17`	`1`	`536`	`f`	[HEM]B:500	x,y,z	`1_555`	`34`	`1`	`828`	`137.5`	`-4.2`	`0.879`	`1`	`0`	`0`	`0.078`
	`12`		[2SN]A:800	`18`	`1`	`531`	`f`	[HEM]A:500	x,y,z	`1_555`	`33`	`1`	`833`	`137.2`	`-3.9`	`0.885`	`1`	`0`	`0`	`0.078`
	*Average:*													`137.3`	`-4.1`	`0.882`	`1`	`0`	`0`	`0.078`
9	`13`		B	`13`	`4`	`20078`	`◊`	A	-x,y-1/2,-z+1/2	`3_545`	`13`	`5`	`19831`	`117.9`	`-1.2`	`0.397`	`0`	`0`	`0`	`0.000`
10	`14`		[ACT]B:860	`4`	`1`	`183`	`f`	B	x,y,z	`1_555`	`18`	`9`	`20078`	`112.2`	`-1.4`	`0.493`	`2`	`0`	`0`	`0.019`
11	`15`		[H4B]B:600	`13`	`1`	`398`	`◊`	A	x,y,z	`1_555`	`23`	`6`	`19831`	`112.2`	`-0.2`	`0.273`	`1`	`0`	`0`	`0.010`
	`16`		[H4B]A:600	`13`	`1`	`397`	`◊`	B	x,y,z	`1_555`	`22`	`6`	`20078`	`111.6`	`-0.1`	`0.276`	`1`	`0`	`0`	`0.010`
	*Average:*													`111.9`	`-0.2`	`0.274`	`1`	`0`	`0`	`0.010`
12	`17`		[ACT]A:860	`4`	`1`	`182`	`f`	A	x,y,z	`1_555`	`17`	`8`	`19831`	`110.1`	`-1.3`	`0.494`	`2`	`0`	`0`	`0.019`
13	`18`		[GOL]B:880	`6`	`1`	`220`	`f`	B	x,y,z	`1_555`	`10`	`5`	`20078`	`93.2`	`0.4`	`0.656`	`3`	`0`	`0`	`0.008`
14	`19`		[GOL]A:880	`6`	`1`	`220`	`f`	A	x,y,z	`1_555`	`10`	`5`	`19831`	`91.5`	`0.3`	`0.647`	`3`	`0`	`0`	`0.009`
15	`20`		[ACT]A:861	`4`	`1`	`182`	`f`	A	x,y,z	`1_555`	`9`	`7`	`19831`	`72.2`	`1.3`	`0.872`	`3`	`0`	`0`	`0.002`
	`21`		[ACT]B:861	`4`	`1`	`183`	`f`	B	x,y,z	`1_555`	`9`	`7`	`20078`	`71.7`	`1.1`	`0.868`	`3`	`0`	`0`	`0.002`
	*Average:*													`71.9`	`1.2`	`0.870`	`3`	`0`	`0`	`0.002`
16	`22`		[EDO]A:870	`4`	`1`	`185`	`f`	A	x,y,z	`1_555`	`15`	`9`	`19831`	`71.7`	`2.3`	`0.551`	`3`	`0`	`0`	`0.000`
17	`23`		[EDO]B:870	`4`	`1`	`185`	`f`	B	x,y,z	`1_555`	`14`	`8`	`20078`	`68.3`	`2.2`	`0.539`	`2`	`0`	`0`	`0.000`
18	`24`		B	`5`	`3`	`20078`	`◊`	A	x-1,y,z	`1_455`	`6`	`2`	`19831`	`67.8`	`-0.5`	`0.296`	`0`	`0`	`0`	`0.000`
19	`25`		[GOL]B:880	`6`	`1`	`220`	`◊`	A	x,y,z	`1_555`	`15`	`3`	`19831`	`62.0`	`0.0`	`0.645`	`0`	`0`	`0`	`0.000`
20	`26`		[GOL]A:880	`6`	`1`	`220`	`◊`	B	x,y,z	`1_555`	`14`	`3`	`20078`	`58.8`	`0.1`	`0.647`	`0`	`0`	`0`	`0.000`
21	`27`		A	`7`	`4`	`19831`	`◊`	B	-x,y-1/2,-z+1/2	`3_545`	`5`	`3`	`20078`	`50.5`	`-0.5`	`0.439`	`0`	`0`	`0`	`0.000`
22	`28`		[GOL]A:880	`6`	`1`	`220`	`f`	[H4B]A:600	x,y,z	`1_555`	`7`	`1`	`397`	`44.1`	`0.1`	`0.283`	`3`	`0`	`0`	`0.010`
23	`29`		[GOL]B:880	`5`	`1`	`220`	`f`	[H4B]B:600	x,y,z	`1_555`	`7`	`1`	`398`	`43.1`	`0.1`	`0.284`	`4`	`0`	`0`	`0.014`
24	`30`		[H4B]A:600	`5`	`1`	`397`	`f`	[HEM]A:500	x,y,z	`1_555`	`5`	`1`	`833`	`41.8`	`-1.1`	`0.448`	`1`	`0`	`0`	`0.027`
	`31`		[H4B]B:600	`4`	`1`	`398`	`f`	[HEM]B:500	x,y,z	`1_555`	`5`	`1`	`828`	`41.6`	`-1.1`	`0.471`	`1`	`0`	`0`	`0.027`
	*Average:*													`41.7`	`-1.1`	`0.460`	`1`	`0`	`0`	`0.027`
25	`32`		[EDO]B:870	`4`	`1`	`185`	`f`	[2SN]B:800	x,y,z	`1_555`	`6`	`1`	`536`	`41.1`	`1.0`	`0.289`	`0`	`0`	`0`	`0.000`
26	`33`		[EDO]A:870	`3`	`1`	`185`	`f`	[2SN]A:800	x,y,z	`1_555`	`7`	`1`	`531`	`41.1`	`1.0`	`0.286`	`0`	`0`	`0`	`0.000`
27	`34`		[ACT]A:860	`3`	`1`	`182`	`f`	[HEM]A:500	x,y,z	`1_555`	`5`	`1`	`833`	`35.0`	`-1.1`	`0.755`	`0`	`0`	`0`	`0.009`
28	`35`		[ACT]B:860	`3`	`1`	`183`	`f`	[HEM]B:500	x,y,z	`1_555`	`5`	`1`	`828`	`34.8`	`-1.0`	`0.752`	`0`	`0`	`0`	`0.009`
29	`36`		[ACT]B:861	`3`	`1`	`183`	`f`	[2SN]B:800	x,y,z	`1_555`	`3`	`1`	`536`	`34.8`	`-0.8`	`0.556`	`0`	`0`	`0`	`0.015`
	`37`		[ACT]A:861	`3`	`1`	`182`	`f`	[2SN]A:800	x,y,z	`1_555`	`3`	`1`	`531`	`34.1`	`-0.9`	`0.536`	`0`	`0`	`0`	`0.015`
	*Average:*													`34.4`	`-0.8`	`0.546`	`0`	`0`	`0`	`0.015`
30	`38`		[ZN]A:900	`1`	`1`	`98`	`◊`	A	x,y,z	`1_555`	`5`	`3`	`19831`	`34.6`	`-20.1`	`0.000`	`0`	`0`	`0`	`0.258`
	`39`		[ZN]A:900	`1`	`1`	`98`	`◊`	B	x,y,z	`1_555`	`5`	`3`	`20078`	`34.3`	`-20.4`	`0.000`	`0`	`0`	`0`	`0.258`
	*Average:*													`34.4`	`-20.3`	`0.000`	`0`	`0`	`0`	`0.258`
31	`40`		[EDO]B:870	`4`	`1`	`185`	`f`	[ACT]B:861	x,y,z	`1_555`	`3`	`1`	`183`	`34.5`	`0.4`	`0.829`	`1`	`0`	`0`	`0.000`
32	`41`		[EDO]A:870	`4`	`1`	`185`	`f`	[ACT]A:861	x,y,z	`1_555`	`3`	`1`	`182`	`31.6`	`0.6`	`0.829`	`0`	`0`	`0`	`0.000`
33	`42`		[EDO]A:870	`2`	`1`	`185`	`f`	[HEM]A:500	x,y,z	`1_555`	`3`	`1`	`833`	`23.5`	`-0.3`	`0.774`	`1`	`0`	`0`	`0.006`
34	`43`		[EDO]B:870	`2`	`1`	`185`	`f`	[HEM]B:500	x,y,z	`1_555`	`3`	`1`	`828`	`22.9`	`-0.4`	`0.746`	`0`	`0`	`0`	`0.004`
35	`44`		A	`3`	`1`	`19831`	`x`	A	-x+1,y-1/2,-z+1/2	`3_645`	`1`	`1`	`19831`	`14.8`	`0.2`	`0.782`	`0`	`0`	`0`	`0.000`
36	`45`		[ACT]B:861	`1`	`1`	`183`	`f`	[HEM]B:500	x,y,z	`1_555`	`1`	`1`	`828`	`10.0`	`-0.7`	`0.358`	`0`	`0`	`0`	`0.012`
	`46`		[ACT]A:861	`1`	`1`	`182`	`f`	[HEM]A:500	x,y,z	`1_555`	`1`	`1`	`833`	`9.2`	`-0.6`	`0.358`	`0`	`0`	`0`	`0.012`
	*Average:*													`9.6`	`-0.7`	`0.358`	`0`	`0`	`0`	`0.012`
37	`47`		[GOL]A:880	`2`	`1`	`220`	`f`	[ACT]A:861	x,y,z	`1_555`	`1`	`1`	`182`	`3.7`	`-0.1`	`0.540`	`0`	`0`	`0`	`0.001`

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