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Interfaces in PDB 4cx0 crystal.
Space symmetry group: P 21 21 21. Resolution: 2.20 Å

STRUCTURE OF BOVINE ENDOTHELIAL NITRIC OXIDE SYNTHASE Y477A MUTANT HEME DOMAIN IN COMPLEX WITH 6-((((3S, 5R)-5-(((6- AMINO-4-METHYLPYRIDIN-2-YL)METHOXY)METHYL)PYRROLIDIN-3-YL) OXY)METHYL)-4-METHYLPYRIDIN-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	`285`	`73`	`19918`	`◊`	A	x,y,z	`1_555`	`288`	`76`	`19773`	`2805.5`	`-35.2`	`0.031`	`36`	`9`	`0`	`0.446`
2	`2`		A	`93`	`29`	`19773`	`◊`	B	-x+1/2,-y,z-1/2	`2_554`	`90`	`28`	`19918`	`740.4`	`-2.6`	`0.688`	`9`	`9`	`0`	`0.000`
3	`3`		[HEM]A:500	`43`	`1`	`819`	`f`	A	x,y,z	`1_555`	`76`	`23`	`19773`	`505.0`	`-16.7`	`0.318`	`1`	`0`	`0`	`0.288`
	`4`		[HEM]B:500	`43`	`1`	`813`	`f`	B	x,y,z	`1_555`	`77`	`23`	`19918`	`500.3`	`-16.7`	`0.313`	`0`	`0`	`0`	`0.288`
	*Average:*													`502.6`	`-16.7`	`0.316`	`1`	`0`	`0`	`0.288`
4	`5`		A	`55`	`18`	`19773`	`x`	A	-x,y-1/2,-z+1/2	`4_545`	`50`	`15`	`19773`	`446.6`	`-4.1`	`0.411`	`1`	`1`	`0`	`0.000`
5	`6`		[Q16]A:800	`24`	`1`	`631`	`f`	A	x,y,z	`1_555`	`42`	`19`	`19773`	`322.6`	`-0.0`	`0.390`	`3`	`0`	`0`	`0.021`
	`7`		[Q16]B:800	`24`	`1`	`630`	`f`	B	x,y,z	`1_555`	`41`	`19`	`19918`	`319.5`	`0.3`	`0.403`	`3`	`0`	`0`	`0.021`
	*Average:*													`321.1`	`0.1`	`0.397`	`3`	`0`	`0`	`0.021`
6	`8`		B	`34`	`12`	`19918`	`x`	B	x-1,y,z	`1_455`	`27`	`8`	`19918`	`294.1`	`-3.6`	`0.297`	`0`	`0`	`0`	`0.000`
7	`9`		[H4B]B:600	`17`	`1`	`395`	`f`	B	x,y,z	`1_555`	`28`	`9`	`19918`	`174.2`	`2.5`	`0.528`	`2`	`0`	`0`	`0.000`
	`10`		[H4B]A:600	`17`	`1`	`397`	`f`	A	x,y,z	`1_555`	`29`	`9`	`19773`	`173.5`	`2.5`	`0.523`	`2`	`0`	`0`	`0.000`
	*Average:*													`173.9`	`2.5`	`0.526`	`2`	`0`	`0`	`0.000`
8	`11`		[Q16]A:800	`18`	`1`	`631`	`f`	[HEM]A:500	x,y,z	`1_555`	`33`	`1`	`819`	`170.1`	`-5.0`	`0.570`	`3`	`0`	`0`	`0.104`
	`12`		[Q16]B:800	`18`	`1`	`630`	`f`	[HEM]B:500	x,y,z	`1_555`	`33`	`1`	`813`	`168.0`	`-5.0`	`0.556`	`2`	`0`	`0`	`0.104`
	*Average:*													`169.0`	`-5.0`	`0.563`	`3`	`0`	`0`	`0.104`
9	`13`		[H4B]A:600	`13`	`1`	`397`	`◊`	B	x,y,z	`1_555`	`22`	`6`	`19918`	`113.1`	`-0.2`	`0.284`	`1`	`0`	`0`	`0.011`
	`14`		[H4B]B:600	`13`	`1`	`395`	`◊`	A	x,y,z	`1_555`	`24`	`6`	`19773`	`112.9`	`-0.2`	`0.283`	`1`	`0`	`0`	`0.011`
	*Average:*													`113.0`	`-0.2`	`0.284`	`1`	`0`	`0`	`0.011`
10	`15`		[ACT]B:860	`4`	`1`	`183`	`f`	B	x,y,z	`1_555`	`17`	`9`	`19918`	`112.3`	`-1.3`	`0.496`	`2`	`0`	`0`	`0.019`
11	`16`		[ACT]A:860	`4`	`1`	`182`	`f`	A	x,y,z	`1_555`	`19`	`9`	`19773`	`111.5`	`-1.3`	`0.513`	`2`	`0`	`0`	`0.019`
12	`17`		[ACT]B:861	`4`	`1`	`183`	`f`	B	x,y,z	`1_555`	`11`	`7`	`19918`	`88.1`	`1.3`	`0.863`	`4`	`0`	`0`	`0.004`
	`18`		[ACT]A:861	`4`	`1`	`181`	`f`	A	x,y,z	`1_555`	`10`	`7`	`19773`	`86.4`	`1.4`	`0.868`	`3`	`0`	`0`	`0.004`
	*Average:*													`87.2`	`1.3`	`0.866`	`4`	`0`	`0`	`0.004`
13	`19`		[GOL]B:880	`6`	`1`	`221`	`f`	B	x,y,z	`1_555`	`11`	`6`	`19918`	`83.8`	`0.3`	`0.619`	`3`	`0`	`0`	`0.009`
14	`20`		[GOL]A:880	`6`	`1`	`219`	`f`	A	x,y,z	`1_555`	`10`	`5`	`19773`	`83.5`	`0.4`	`0.663`	`3`	`0`	`0`	`0.008`
15	`21`		B	`9`	`4`	`19918`	`◊`	A	x-1,y,z	`1_455`	`7`	`2`	`19773`	`76.7`	`1.4`	`0.737`	`0`	`0`	`0`	`0.000`
16	`22`		B	`12`	`4`	`19918`	`◊`	A	-x,y-1/2,-z+1/2	`4_545`	`9`	`5`	`19773`	`65.4`	`-0.8`	`0.468`	`0`	`0`	`0`	`0.000`
17	`23`		[GOL]A:880	`6`	`1`	`219`	`◊`	B	x,y,z	`1_555`	`15`	`4`	`19918`	`59.5`	`-0.1`	`0.630`	`0`	`0`	`0`	`0.001`
18	`24`		[GOL]B:880	`6`	`1`	`221`	`◊`	A	x,y,z	`1_555`	`15`	`3`	`19773`	`58.2`	`-0.1`	`0.651`	`0`	`0`	`0`	`0.000`
19	`25`		A	`7`	`4`	`19773`	`◊`	B	-x,y-1/2,-z+1/2	`4_545`	`6`	`2`	`19918`	`52.4`	`-0.6`	`0.452`	`0`	`0`	`0`	`0.000`
20	`26`		[H4B]B:600	`4`	`1`	`395`	`f`	[HEM]B:500	x,y,z	`1_555`	`5`	`1`	`813`	`40.6`	`-1.2`	`0.460`	`1`	`0`	`0`	`0.028`
	`27`		[H4B]A:600	`4`	`1`	`397`	`f`	[HEM]A:500	x,y,z	`1_555`	`5`	`1`	`819`	`39.5`	`-1.2`	`0.449`	`1`	`0`	`0`	`0.028`
	*Average:*													`40.1`	`-1.2`	`0.455`	`1`	`0`	`0`	`0.028`
21	`28`		[GOL]A:880	`5`	`1`	`219`	`f`	[H4B]A:600	x,y,z	`1_555`	`7`	`1`	`397`	`38.8`	`0.1`	`0.289`	`4`	`0`	`0`	`0.015`
22	`29`		[GOL]B:880	`4`	`1`	`221`	`f`	[H4B]B:600	x,y,z	`1_555`	`6`	`1`	`395`	`36.4`	`0.2`	`0.294`	`3`	`0`	`0`	`0.010`
23	`30`		[ZN]A:900	`1`	`1`	`98`	`◊`	A	x,y,z	`1_555`	`5`	`3`	`19773`	`34.4`	`-19.9`	`0.000`	`0`	`0`	`0`	`0.256`
	`31`		[ZN]A:900	`1`	`1`	`98`	`◊`	B	x,y,z	`1_555`	`5`	`3`	`19918`	`34.2`	`-20.6`	`0.000`	`0`	`0`	`0`	`0.256`
	*Average:*													`34.3`	`-20.3`	`0.000`	`0`	`0`	`0`	`0.256`
24	`32`		[ACT]B:860	`3`	`1`	`183`	`f`	[HEM]B:500	x,y,z	`1_555`	`5`	`1`	`813`	`33.7`	`-1.0`	`0.756`	`0`	`0`	`0`	`0.008`
25	`33`		[ACT]A:860	`3`	`1`	`182`	`f`	[HEM]A:500	x,y,z	`1_555`	`5`	`1`	`819`	`33.7`	`-1.0`	`0.755`	`0`	`0`	`0`	`0.009`
26	`34`		[ACT]A:861	`1`	`1`	`181`	`f`	[Q16]A:800	x,y,z	`1_555`	`5`	`1`	`631`	`31.1`	`0.3`	`0.401`	`0`	`0`	`0`	`0.000`
	`35`		[ACT]B:861	`3`	`1`	`183`	`f`	[Q16]B:800	x,y,z	`1_555`	`5`	`1`	`630`	`29.2`	`0.3`	`0.613`	`0`	`0`	`0`	`0.000`
	*Average:*													`30.2`	`0.3`	`0.507`	`0`	`0`	`0`	`0.000`
27	`36`		[GOL]B:880	`2`	`1`	`221`	`f`	[Q16]B:800	x,y,z	`1_555`	`5`	`1`	`630`	`27.6`	`-0.6`	`0.262`	`0`	`0`	`0`	`0.005`
28	`37`		[Q16]B:800	`3`	`1`	`630`	`◊`	A	x,y,z	`1_555`	`3`	`1`	`19773`	`27.0`	`-0.8`	`0.233`	`0`	`0`	`0`	`0.014`
	`38`		[Q16]A:800	`3`	`1`	`631`	`◊`	B	x,y,z	`1_555`	`3`	`1`	`19918`	`26.5`	`-0.8`	`0.232`	`0`	`0`	`0`	`0.014`
	*Average:*													`26.7`	`-0.8`	`0.233`	`0`	`0`	`0`	`0.014`
29	`39`		[GOL]A:880	`3`	`1`	`219`	`f`	[Q16]A:800	x,y,z	`1_555`	`5`	`1`	`631`	`24.8`	`-0.4`	`0.370`	`0`	`0`	`0`	`0.004`
30	`40`		A	`2`	`1`	`19773`	`x`	A	-x+1,y-1/2,-z+1/2	`4_645`	`2`	`2`	`19773`	`13.5`	`0.2`	`0.774`	`0`	`0`	`0`	`0.000`
31	`41`		[ACT]B:861	`1`	`1`	`183`	`f`	[HEM]B:500	x,y,z	`1_555`	`1`	`1`	`813`	`13.0`	`-0.9`	`0.358`	`0`	`0`	`0`	`0.014`
	`42`		[ACT]A:861	`1`	`1`	`181`	`f`	[HEM]A:500	x,y,z	`1_555`	`1`	`1`	`819`	`12.5`	`-0.8`	`0.358`	`0`	`0`	`0`	`0.014`
	*Average:*													`12.7`	`-0.8`	`0.358`	`0`	`0`	`0`	`0.014`
32	`43`		[Q16]B:800	`2`	`1`	`630`	`f`	[H4B]B:600	x,y,z	`1_555`	`3`	`1`	`395`	`10.8`	`0.2`	`0.361`	`0`	`0`	`0`	`0.000`
	`44`		[Q16]A:800	`2`	`1`	`631`	`f`	[H4B]A:600	x,y,z	`1_555`	`3`	`1`	`397`	`9.3`	`0.2`	`0.367`	`0`	`0`	`0`	`0.000`
	*Average:*													`10.0`	`0.2`	`0.364`	`0`	`0`	`0`	`0.000`
33	`45`		[GOL]B:880	`1`	`1`	`221`	`f`	[ACT]B:861	x,y,z	`1_555`	`1`	`1`	`183`	`0.3`	`-0.0`	`0.500`	`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