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Interfaces in PDB 3jx2 crystal.
Space symmetry group: P 21 21 21. Resolution: 2.10 Å

STRUCTURE OF RAT NEURONAL NITRIC OXIDE SYNTHASE D597N/M336V MUTANT HEME DOMAIN IN COMPLEX WITH N1-{(3'S,4'S)-4'-[(6"-AMINO-4"- METHYLPYRIDIN-2"-YL)METHYL]PYRROLIDIN-3'-YL}-N2-(3'-FLUOROPHENETHYL) ETHANE-1,2-DIAMINE

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	`266`	`71`	`20238`	`◊`	A	x,y,z	`1_555`	`261`	`70`	`20192`	`2564.7`	`-36.1`	`0.010`	`39`	`9`	`0`	`0.473`
2	`2`		A	`65`	`19`	`20192`	`◊`	B	-x+1/2,-y,z-1/2	`2_554`	`68`	`19`	`20238`	`652.4`	`-2.1`	`0.610`	`16`	`0`	`0`	`0.000`
3	`3`		[HEM]B:750	`43`	`1`	`814`	`f`	B	x,y,z	`1_555`	`81`	`25`	`20238`	`512.0`	`-17.9`	`0.331`	`2`	`0`	`0`	`0.321`
	`4`		[HEM]A:750	`42`	`1`	`812`	`f`	A	x,y,z	`1_555`	`82`	`24`	`20192`	`504.8`	`-17.5`	`0.341`	`2`	`0`	`0`	`0.321`
	*Average:*													`508.4`	`-17.7`	`0.336`	`2`	`0`	`0`	`0.321`
4	`5`		B	`51`	`15`	`20238`	`x`	B	x-1,y,z	`1_455`	`54`	`15`	`20238`	`482.4`	`-1.0`	`0.614`	`2`	`1`	`0`	`0.000`
5	`6`		[JI4]A:800	`26`	`1`	`652`	`f`	A	x,y,z	`1_555`	`53`	`20`	`20192`	`328.7`	`1.9`	`0.426`	`3`	`0`	`0`	`0.000`
	`7`		[JI4]B:800	`27`	`1`	`645`	`f`	B	x,y,z	`1_555`	`50`	`20`	`20238`	`324.6`	`1.8`	`0.417`	`3`	`0`	`0`	`0.000`
	*Average:*													`326.7`	`1.9`	`0.422`	`3`	`0`	`0`	`0.000`
6	`8`		B	`42`	`11`	`20238`	`◊`	A	-x+1,y-1/2,-z+1/2	`3_645`	`33`	`9`	`20192`	`295.7`	`-2.5`	`0.461`	`1`	`0`	`0`	`0.000`
7	`9`		A	`24`	`12`	`20192`	`◊`	B	-x,y-1/2,-z+1/2	`3_545`	`24`	`8`	`20238`	`204.8`	`1.8`	`0.791`	`1`	`2`	`0`	`0.000`
8	`10`		[H4B]A:760	`17`	`1`	`397`	`f`	A	x,y,z	`1_555`	`27`	`9`	`20192`	`174.9`	`2.0`	`0.454`	`2`	`0`	`0`	`0.000`
	`11`		[H4B]B:760	`17`	`1`	`399`	`f`	B	x,y,z	`1_555`	`27`	`9`	`20238`	`167.9`	`2.1`	`0.472`	`2`	`0`	`0`	`0.000`
	*Average:*													`171.4`	`2.0`	`0.463`	`2`	`0`	`0`	`0.000`
9	`12`		[JI4]A:800	`18`	`1`	`652`	`f`	[HEM]A:750	x,y,z	`1_555`	`34`	`1`	`812`	`161.9`	`-3.9`	`0.421`	`3`	`0`	`0`	`0.083`
	`13`		[JI4]B:800	`18`	`1`	`645`	`f`	[HEM]B:750	x,y,z	`1_555`	`34`	`1`	`814`	`161.3`	`-3.5`	`0.477`	`2`	`0`	`0`	`0.083`
	*Average:*													`161.6`	`-3.7`	`0.449`	`3`	`0`	`0`	`0.083`
10	`14`		[ACT]B:860	`4`	`1`	`183`	`f`	B	x,y,z	`1_555`	`20`	`9`	`20238`	`116.8`	`-1.5`	`0.470`	`1`	`0`	`0`	`0.017`
11	`15`		[ACT]A:860	`4`	`1`	`182`	`f`	A	x,y,z	`1_555`	`20`	`8`	`20192`	`112.7`	`-1.5`	`0.467`	`1`	`0`	`0`	`0.017`
12	`16`		[H4B]B:760	`13`	`1`	`399`	`◊`	A	x,y,z	`1_555`	`21`	`6`	`20192`	`110.9`	`-0.1`	`0.269`	`1`	`0`	`0`	`0.010`
	`17`		[H4B]A:760	`13`	`1`	`397`	`◊`	B	x,y,z	`1_555`	`23`	`6`	`20238`	`110.6`	`-0.1`	`0.270`	`1`	`0`	`0`	`0.010`
	*Average:*													`110.8`	`-0.1`	`0.269`	`1`	`0`	`0`	`0.010`
13	`18`		[GOL]A:880	`6`	`1`	`218`	`f`	A	x,y,z	`1_555`	`8`	`5`	`20192`	`76.4`	`0.6`	`0.728`	`2`	`0`	`0`	`0.003`
14	`19`		[GOL]B:880	`6`	`1`	`217`	`f`	B	x,y,z	`1_555`	`7`	`4`	`20238`	`63.6`	`0.0`	`0.608`	`1`	`0`	`0`	`0.004`
15	`20`		[GOL]A:880	`5`	`1`	`218`	`◊`	B	x,y,z	`1_555`	`16`	`4`	`20238`	`61.8`	`-0.4`	`0.577`	`1`	`0`	`0`	`0.008`
16	`21`		[GOL]B:880	`6`	`1`	`217`	`◊`	A	x,y,z	`1_555`	`14`	`3`	`20192`	`60.3`	`0.5`	`0.696`	`1`	`0`	`0`	`0.000`
17	`22`		[GOL]B:880	`5`	`1`	`217`	`f`	[H4B]B:760	x,y,z	`1_555`	`8`	`1`	`399`	`48.4`	`-0.3`	`0.226`	`1`	`0`	`0`	`0.007`
18	`23`		[H4B]B:760	`5`	`1`	`399`	`f`	[HEM]B:750	x,y,z	`1_555`	`5`	`1`	`814`	`40.9`	`-1.0`	`0.454`	`2`	`0`	`0`	`0.033`
	`24`		[H4B]A:760	`5`	`1`	`397`	`f`	[HEM]A:750	x,y,z	`1_555`	`5`	`1`	`812`	`40.4`	`-1.0`	`0.445`	`2`	`0`	`0`	`0.033`
	*Average:*													`40.6`	`-1.0`	`0.450`	`2`	`0`	`0`	`0.033`
19	`25`		[GOL]A:880	`5`	`1`	`218`	`f`	[H4B]A:760	x,y,z	`1_555`	`7`	`1`	`397`	`39.6`	`0.2`	`0.302`	`4`	`0`	`0`	`0.014`
20	`26`		[JI4]B:800	`4`	`1`	`645`	`◊`	A	x,y,z	`1_555`	`6`	`1`	`20192`	`39.0`	`-1.1`	`0.215`	`0`	`0`	`0`	`0.020`
	`27`		[JI4]A:800	`5`	`1`	`652`	`◊`	B	x,y,z	`1_555`	`4`	`1`	`20238`	`36.6`	`-1.1`	`0.173`	`0`	`0`	`0`	`0.020`
	*Average:*													`37.8`	`-1.1`	`0.194`	`0`	`0`	`0`	`0.020`
21	`28`		[ACT]A:860	`1`	`1`	`182`	`f`	[HEM]A:750	x,y,z	`1_555`	`5`	`1`	`812`	`38.2`	`-1.2`	`0.486`	`0`	`0`	`0`	`0.011`
22	`29`		B	`2`	`1`	`20238`	`x`	B	x-1/2,-y+1/2,-z+1	`4_456`	`6`	`4`	`20238`	`36.6`	`1.5`	`0.911`	`1`	`0`	`0`	`0.000`
23	`30`		[ZN]A:900	`1`	`1`	`98`	`◊`	B	x,y,z	`1_555`	`5`	`3`	`20238`	`35.1`	`-20.4`	`0.000`	`0`	`0`	`0`	`0.260`
	`31`		[ZN]A:900	`1`	`1`	`98`	`◊`	A	x,y,z	`1_555`	`5`	`3`	`20192`	`34.4`	`-20.2`	`0.000`	`0`	`0`	`0`	`0.260`
	*Average:*													`34.8`	`-20.3`	`0.000`	`0`	`0`	`0`	`0.260`
24	`32`		[GOL]A:880	`2`	`1`	`218`	`f`	[JI4]A:800	x,y,z	`1_555`	`7`	`1`	`652`	`33.6`	`-0.2`	`0.389`	`0`	`0`	`0`	`0.001`
25	`33`		[ACT]B:860	`3`	`1`	`183`	`f`	[HEM]B:750	x,y,z	`1_555`	`5`	`1`	`814`	`33.0`	`-1.0`	`0.755`	`0`	`0`	`0`	`0.009`
26	`34`		[GOL]B:880	`2`	`1`	`217`	`f`	[JI4]B:800	x,y,z	`1_555`	`5`	`1`	`645`	`33.0`	`-0.1`	`0.382`	`0`	`0`	`0`	`0.000`
27	`35`		A	`1`	`1`	`20192`	`x`	A	x-1/2,-y+1/2,-z	`4_455`	`1`	`1`	`20192`	`12.6`	`-0.4`	`0.185`	`0`	`0`	`0`	`0.000`
28	`36`		A	`2`	`1`	`20192`	`◊`	B	x-1,y,z	`1_455`	`2`	`1`	`20238`	`8.6`	`0.2`	`0.741`	`0`	`0`	`0`	`0.000`
29	`37`		[JI4]A:800	`1`	`1`	`652`	`f`	[H4B]A:760	x,y,z	`1_555`	`2`	`1`	`397`	`7.6`	`0.1`	`0.382`	`0`	`0`	`0`	`0.000`
	`38`		[JI4]B:800	`4`	`1`	`645`	`f`	[H4B]B:760	x,y,z	`1_555`	`1`	`1`	`399`	`6.4`	`0.1`	`0.211`	`0`	`0`	`0`	`0.000`
	*Average:*													`7.0`	`0.1`	`0.297`	`0`	`0`	`0`	`0.000`
30	`39`		B	`2`	`1`	`20238`	`◊`	A	-x,y-1/2,-z+1/2	`3_545`	`1`	`1`	`20192`	`6.1`	`-0.1`	`0.402`	`0`	`0`	`0`	`0.000`
31	`40`		[GOL]B:880	`1`	`1`	`217`	`f`	[HEM]B:750	x,y,z	`1_555`	`1`	`1`	`814`	`1.1`	`-0.1`	`0.656`	`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