Color ConSurf Grade
      No Conservation data available
      1
      2
      3
      4
      5
      6
      7
      8
      9

Index: hub id, click on each number to highlight the corresponding hub in the 3D visualization.

Hub: the hub being considered.

Avg Int. Strength: the average interaction strength of all the links of the corresponding hub.

Num Of Links: the number of links of the corresponding hub.

Community: the id of the community the link belong to, otherwise 0.

ConSurf: this column reports the ConSurf conservation grades of each hub.

Index Hub Avg Int. Strength Num Of Links Community ConSurf
1R:R:Y46 5.35506
2R:R:F89 4.68608
3R:R:M105 6.41418
4R:R:F107 10.24417
5R:R:Y116 8.605474
6R:R:W117 8.78819
7R:R:F119 7.734517
8R:R:W123 8.72515
9R:R:Y127 6.31833615
10R:R:L128 3.8275407
11R:R:H141 6.7525488
12R:R:D148 8.075439
13R:R:R149 7.1539
14R:R:Y150 7.6875409
15R:R:R163 11.02638
16R:R:W176 5.435689
17R:R:Y199 9.6825473
18R:R:L204 4.9225407
19R:R:Y210 7.994507
20R:R:F219 10.196508
21R:R:Y230 7.64409
22R:R:F380 6.0125438
23R:R:W391 7.27667609
24R:R:W395 9.18408
25R:R:F398 10.79518
26R:R:F399 10.63518
27R:R:Y402 8.08618
28R:R:F421 7.535426
29R:R:F422 6.6475426
30R:R:F423 8.58416
31R:R:W424 7.3075418
32R:R:Y427 8.188518
33R:R:Y437 8.302539
34R:R:F440 5.005498
35R:R:D443 6.892508
36R:R:F444 10.2539
37S:S:Y46 7.195406
38S:S:Q86 9.15333658
39S:S:N87 5.585409
40S:S:F89 4.8825408
41S:S:F107 10.2675447
42S:S:L113 6.095407
43S:S:Y116 3.512544
44S:S:W117 9.055849
45S:S:F119 8.4325447
46S:S:W123 9.41445
47S:S:Y127 7.265445
48S:S:F134 8.075407
49S:S:H141 7.0754108
50S:S:R149 10.0375459
51S:S:R163 7.37167658
52S:S:W176 5.8385109
53S:S:F184 4.296116
54S:S:Y210 8.525407
55S:S:F219 9.752508
56S:S:Y230 6.006509
57S:S:E377 7.505458
58S:S:R379 7.255468
59S:S:F380 8.4375458
60S:S:M388 5.2525128
61S:S:W391 6.81609
62S:S:W395 10.7275408
63S:S:F398 10.646528
64S:S:F399 11.398528
65S:S:Y402 6.88628
66S:S:F419 4.67625
67S:S:F421 6.6975426
68S:S:F422 9.01426
69S:S:F423 8.0075426
70S:S:W424 7.445428
71S:S:Y427 9.1925428
72S:S:S431 3.69408
73S:S:Y437 10.0625409
74S:S:N441 8.03409
75S:S:D443 7.735468
76S:S:F444 11.16409
77L:L:?1 9.7451210
78M:M:?1 9.721120
   

Color ConSurf Grade
      No Conservation data available
      1
      2
      3
      4
      5
      6
      7
      8
      9

Index: link id, click on each number to highlight the corresponding link in the 3D visualization.

Node1 Node2: the two nodes of the corresponding link.

Recurrence: the relative Recurrence in the pool of shortest paths.

Int. Strength: the interaction strength between the two nodes.

Hub1?, Hub2?: "Yes" if the corresponding node has more than 3 links, otherwise "No".

Community: the id of the community the link belong to, otherwise 0.

ConSurf1, ConSurf2: these columns report the ConSurf conservation grades of the two nodes involved in a link.

Index Node1 Node2 Recurrence Int. Strength Hub1? Hub2? Community ConSurf1 ConSurf2
1L:L:?1 R:R:Y127 27.98934.05YesYes105
2R:R:F107 R:R:Y127 10.26086.19YesYes175
3R:R:F119 R:R:Y118 11.04164.13YesNo075
4R:R:W117 R:R:Y127 14.302311.58YesYes195
5R:R:P434 R:R:V72 11.95473.53NoNo099
6R:R:V72 R:R:Y437 12.64775.05NoYes099
7R:R:F444 R:R:Y437 23.580418.57YesYes399
8R:R:F380 R:R:F444 33.03354.29YesYes389
9R:R:F380 R:R:R149 39.49116.41YesYes389
10R:R:R149 R:R:R163 42.05894.26YesYes398
11R:R:R163 R:R:Y159 50.537810.29YesNo389
12R:R:W151 R:R:Y159 75.740312.54NoNo059
13R:R:W151 R:R:Y150 76.89934.82NoYes059
14R:R:I233 R:R:Y150 81.48954.84NoYes099
15R:R:I233 R:R:Y230 81.915610.88NoYes099
16R:R:M388 R:R:Y230 85.29678.38NoYes089
17R:R:L142 R:R:M388 87.12479.9NoNo098
18R:R:L142 R:R:W391 88.7937.97NoYes099
19R:R:F219 R:R:W391 42.96584.01YesYes089
20R:R:F219 R:R:F399 44.377422.51YesYes088
21L:L:?1 R:R:F399 22.59487.58YesYes108
22R:R:W391 R:R:W395 50.869210.31YesYes098
23R:R:F399 R:R:W395 40.96046.01YesYes088
24R:R:C135 R:R:W395 10.45479.14NoYes088
25L:L:?1 R:R:C135 10.7736.59YesNo008
26R:R:A84 R:R:Q86 13.49984.55NoNo088
27R:R:D148 R:R:Y159 24.62079.2YesNo399
28R:R:P165 R:R:P85 10.80897.79NoNo067
29R:R:A84 R:R:P85 12.15491.87NoNo087
30R:R:D148 R:R:F89 17.11144.78YesYes098
31R:R:I172 R:R:S92 13.27457.74NoNo099
32R:R:F89 R:R:I172 13.96183.77YesNo089
33L:L:?1 R:R:Y402 17.19638.11YesYes108
34R:R:F422 R:R:S401 55.57133.96YesNo066
35R:R:S401 R:R:V414 55.68259.7NoNo066
36R:R:F419 R:R:V414 86.03653.93NoNo056
37R:R:F398 R:R:F419 69.93588.57YesNo185
38L:L:?1 R:R:F398 12.324912.64YesYes108
39R:R:F419 R:R:Y402 16.20964.13NoYes158
40R:R:P415 R:R:V414 30.30663.53NoNo076
41R:R:P417 S:S:P417 31.138211.69NoNo033
42R:R:P415 S:S:P417 30.57537.79NoNo073
43R:R:P417 S:S:P415 31.69667.79NoNo037
44R:R:F421 S:S:F421 55.02434.29YesYes266
45R:R:F422 S:S:F421 55.06026.43YesYes266
46R:R:F421 S:S:F422 54.52018.57YesYes266
47S:S:P415 S:S:V414 31.98233.53NoNo076
48S:S:F419 S:S:V414 31.91623.93YesNo256
49M:M:?1 S:S:F419 20.53294.21YesYes205
50M:M:?1 S:S:L204 21.43015.74YesNo007
51S:S:L128 S:S:L204 20.06245.54NoNo077
52S:S:L128 S:S:Y127 19.46014.69NoYes075
53S:S:W117 S:S:Y127 11.094611.58YesYes495
54S:S:F423 S:S:W424 25.75914.01YesYes268
55S:S:V58 S:S:W424 14.03888.58NoYes078
56S:S:L109 S:S:V58 13.439410.43NoNo087
57S:S:L109 S:S:L113 12.32958.3NoYes087
58S:S:M105 S:S:W424 11.17334.65NoYes288
59S:S:I62 S:S:M105 14.50254.37NoNo088
60S:S:A101 S:S:I62 12.09683.25NoNo088
61S:S:F422 S:S:P397 53.839110.11YesNo069
62S:S:F396 S:S:P397 53.62524.33NoNo079
63S:S:F219 S:S:F396 52.81534.29YesNo087
64S:S:F219 S:S:W391 71.42965.01YesYes089
65S:S:L142 S:S:W391 1005.69NoYes099
66S:S:L142 S:S:M388 98.22688.48NoYes1298
67S:S:M388 S:S:Y230 93.56637.18YesYes089
68S:S:T381 S:S:Y230 90.83724.99NoYes089
69S:S:R149 S:S:T381 90.287912.94YesNo098
70S:S:F380 S:S:R149 74.0728.55YesYes589
71S:S:F380 S:S:N87 38.06249.67YesYes089
72S:S:L90 S:S:N87 30.51144.12NoYes089
73S:S:L90 S:S:Y437 24.890511.72NoYes089
74S:S:V72 S:S:Y437 43.28975.05NoYes099
75S:S:P434 S:S:V72 41.99613.53NoNo099
76S:S:G68 S:S:P434 10.60814.06NoNo099
77S:S:F380 S:S:N441 36.77569.67YesYes089
78S:S:F444 S:S:N441 28.02068.46YesYes099
79S:S:F444 S:S:Y437 24.983516.5YesYes099
80S:S:N69 S:S:P434 30.302611.4NoNo099
81S:S:D97 S:S:N69 27.69156.73NoNo099
82S:S:P85 S:S:R163 10.67667.21NoYes078
83S:S:D97 S:S:S430 26.384310.31NoNo099
84S:S:S430 S:S:V100 25.07594.85NoNo099
85S:S:F134 S:S:V100 23.76633.93YesNo079
86S:S:F134 S:S:W176 14.56764.01YesYes079
87M:M:?1 S:S:C135 14.17636.59YesNo008
88S:S:F398 S:S:F399 13.341913.93YesYes288
89S:S:F399 S:S:W395 21.91499.02YesYes088
90M:M:?1 S:S:F399 28.40338.42YesYes208
91S:S:C135 S:S:W395 13.916210.45NoYes088
92S:S:I211 S:S:Y402 10.199215.71NoYes078
93R:R:F398 R:R:F399 59.795912.86YesYes188
94S:S:F219 S:S:F399 22.113421.43YesYes088
95M:M:?1 S:S:F423 12.50415.16YesYes206
96S:S:W391 S:S:W395 33.879912.18YesYes098
Download PSN data

2D representation of the global metapath, ligand(s) interactions and
histograms of path distribution according to several parameters
(click on the image to enlarge it 🔍):

A 2D representation of the global communication in the network.

ConSurf Conservation Grade (See documentation): 

 n/a   1    2    3    4    5    6    7    8    9  

Number of shortest communication paths as a function of the average residue correlation.

Number of shortest communication paths as a function of the average interaction strength of their links.

Number of shortest communication paths as a function of the % of hub nodes in each path.

Number of shortest communication paths as a function of the number of nodes in each path.

Number of shortest communication paths as a function of the % of correlated nodes in each path.


2D representation of the interactions of this orthosteric/allosteric ligand.


Links and nodes colored according to ConSurf Conservation Grade (See documentation): 

 n/a   1    2    3    4    5    6    7    8    9  

Node1 Node2 LinkStrength Comm IsNode1Hub? IsNode2Hub? Node1Cons Node2Cons Node1Shell Node2Shell
S:S:D131 S:S:V104 4.38 0 No No 9 9 1 2
S:S:L128 S:S:L204 5.54 0 No No 7 7 2 1
S:S:D131 S:S:Y427 5.75 0 No Yes 9 8 1 2
M:M:?1 S:S:D131 26.28 2 Yes No 0 9 0 1
S:S:V132 S:S:Y191 10.09 0 No No 8 5 1 2
M:M:?1 S:S:V132 11.34 2 Yes No 0 8 0 1
S:S:C135 S:S:W395 10.45 0 No Yes 8 8 1 2
M:M:?1 S:S:C135 6.59 2 Yes No 0 8 0 1
S:S:S218 S:S:T136 9.59 0 No No 8 8 1 2
S:S:L204 S:S:Y210 8.21 0 No Yes 7 7 1 2
M:M:?1 S:S:L204 5.74 2 Yes No 0 7 0 1
S:S:S214 S:S:Y210 11.45 0 No Yes 8 7 1 2
S:S:Y210 S:S:Y402 3.97 0 Yes Yes 7 8 2 1
S:S:I211 S:S:Y402 15.71 0 No Yes 7 8 2 1
M:M:?1 S:S:S214 4.15 2 Yes No 0 8 0 1
S:S:C215 S:S:F399 4.19 0 No Yes 8 8 2 1
S:S:C215 S:S:Y402 5.38 0 No Yes 8 8 2 1
M:M:?1 S:S:S218 4.15 2 Yes No 0 8 0 1
S:S:F219 S:S:F399 21.43 0 Yes Yes 8 8 2 1
S:S:F399 S:S:W395 9.02 2 Yes Yes 8 8 1 2
S:S:F398 S:S:F399 13.93 2 Yes Yes 8 8 1 1
S:S:F398 S:S:Y402 7.22 2 Yes Yes 8 8 1 1
S:S:F398 S:S:F419 7.5 2 Yes Yes 8 5 1 1
S:S:F398 S:S:F423 8.57 2 Yes Yes 8 6 1 1
M:M:?1 S:S:F398 16.01 2 Yes Yes 0 8 0 1
M:M:?1 S:S:F399 8.42 2 Yes Yes 0 8 0 1
S:S:S401 S:S:V414 8.08 2 No No 6 6 2 2
S:S:F419 S:S:S401 3.96 2 Yes No 5 6 1 2
S:S:F419 S:S:Y402 4.13 2 Yes Yes 5 8 1 1
M:M:?1 S:S:Y402 4.87 2 Yes Yes 0 8 0 1
S:S:F419 S:S:V414 3.93 2 Yes No 5 6 1 2
S:S:F419 S:S:F423 4.29 2 Yes Yes 5 6 1 1
M:M:?1 S:S:F419 4.21 2 Yes Yes 0 5 0 1
S:S:F423 S:S:W424 4.01 2 Yes Yes 6 8 1 2
M:M:?1 S:S:F423 15.16 2 Yes Yes 0 6 0 1
S:S:W424 S:S:Y427 12.54 2 Yes Yes 8 8 2 2

Location and physicochemical properties of the interaction partners of this ligand

Interactions of this ligand

Similarities between the interactions of this ligand and those of other networks

2D representation of the interactions of this orthosteric/allosteric ligand.


Links and nodes colored according to ConSurf Conservation Grade (See documentation): 

 n/a   1    2    3    4    5    6    7    8    9  

Node1 Node2 LinkStrength Comm IsNode1Hub? IsNode2Hub? Node1Cons Node2Cons Node1Shell Node2Shell
R:R:V104 R:R:Y127 6.31 0 No Yes 9 5 2 1
R:R:D131 R:R:V104 5.84 1 No No 9 9 1 2
R:R:M105 R:R:W424 5.82 1 Yes Yes 8 8 2 2
R:R:M105 R:R:Y427 8.38 1 Yes Yes 8 8 2 1
R:R:F107 R:R:W117 4.01 1 Yes Yes 7 9 2 2
R:R:F107 R:R:Y127 6.19 1 Yes Yes 7 5 2 1
R:R:S108 R:R:Y127 5.09 0 No Yes 8 5 2 1
R:R:S108 R:R:Y427 7.63 0 No Yes 8 8 2 1
R:R:W117 R:R:Y127 11.58 1 Yes Yes 9 5 2 1
R:R:L128 R:R:Y127 4.69 0 Yes Yes 7 5 2 1
L:L:?1 R:R:Y127 4.05 1 Yes Yes 0 5 0 1
R:R:L128 R:R:L204 4.15 0 Yes Yes 7 7 2 1
R:R:D131 R:R:Y427 5.75 1 No Yes 9 8 1 1
L:L:?1 R:R:D131 29.1 1 Yes No 0 9 0 1
R:R:S183 R:R:V132 4.85 0 No No 8 8 2 1
L:L:?1 R:R:V132 11.34 1 Yes No 0 8 0 1
R:R:C135 R:R:W395 9.14 0 No Yes 8 8 1 2
L:L:?1 R:R:C135 6.59 1 Yes No 0 8 0 1
R:R:S183 R:R:T136 6.4 0 No No 8 8 2 2
R:R:S218 R:R:T136 9.59 0 No No 8 8 1 2
R:R:L204 R:R:Y210 5.86 0 Yes Yes 7 7 1 2
L:L:?1 R:R:L204 6.7 1 Yes Yes 0 7 0 1
R:R:S214 R:R:Y210 12.72 0 No Yes 8 7 1 2
R:R:Y210 R:R:Y402 3.97 0 Yes Yes 7 8 2 1
R:R:I211 R:R:Y402 14.51 0 No Yes 7 8 2 1
L:L:?1 R:R:S214 4.15 1 Yes No 0 8 0 1
R:R:C215 R:R:F399 4.19 0 No Yes 8 8 2 1
R:R:C215 R:R:Y402 5.38 0 No Yes 8 8 2 1
L:L:?1 R:R:S218 4.15 1 Yes No 0 8 0 1
R:R:F219 R:R:F399 22.51 0 Yes Yes 8 8 2 1
R:R:F399 R:R:W395 6.01 1 Yes Yes 8 8 1 2
R:R:F398 R:R:F399 12.86 1 Yes Yes 8 8 1 1
R:R:F398 R:R:Y402 12.38 1 Yes Yes 8 8 1 1
R:R:F398 R:R:F419 8.57 1 Yes No 8 5 1 2
R:R:F398 R:R:F423 7.5 1 Yes Yes 8 6 1 1
L:L:?1 R:R:F398 12.64 1 Yes Yes 0 8 0 1
L:L:?1 R:R:F399 7.58 1 Yes Yes 0 8 0 1
R:R:F419 R:R:Y402 4.13 1 No Yes 5 8 2 1
L:L:?1 R:R:Y402 8.11 1 Yes Yes 0 8 0 1
R:R:F423 R:R:K420 4.96 1 Yes No 6 5 1 2
R:R:F423 R:R:W424 5.01 1 Yes Yes 6 8 1 2
L:L:?1 R:R:F423 16.85 1 Yes Yes 0 6 0 1
R:R:W424 R:R:Y427 13.5 1 Yes Yes 8 8 2 1
L:L:?1 R:R:Y427 5.68 1 Yes Yes 0 8 0 1
R:R:I182 R:R:S218 3.1 0 No No 8 8 2 1
R:R:L204 R:R:V188 2.98 0 Yes No 7 5 1 2

Location and physicochemical properties of the interaction partners of this ligand

Interactions of this ligand

Similarities between the interactions of this ligand and those of other networks

PDB Summary
PDB 6KUW_poly
Class A
SubFamily Amine
Type Adrenergic
SubType Alpha2C
Species Homo sapiens
Ligand PubChem 57213234
Other Ligand(s) -
Protein Partners -
PDB Resolution 2.8
Date 2019-12-04
D.O.I. 10.1038/nature06325
Net Summary
Imin 3.93
Number of Linked Nodes 510
Number of Links 579
Number of Hubs 78
Number of Links mediated by Hubs 295
Number of Communities 13
Number of Nodes involved in Communities 92
Number of Links involved in Communities 128
Path Summary
Number Of Nodes in MetaPath 97
Number Of Links MetaPath 96
Number of Shortest Paths 373541
Length Of Smallest Path 3
Average Path Length 22.4325
Length of Longest Path 57
Minimum Path Strength 1.47
Average Path Strength 7.56722
Maximum Path Strength 22.975
Minimum Path Correlation 0.7
Average Path Correlation 0.963107
Maximum Path Correlation 1
Minimum % Of Corr. Nodes 2.85714
Average % Of Corr. Nodes 47.7256
Maximum % Of Corr. Nodes 100
Minimum Path Hubs % 0
Average Path Hubs % 49.8783
Maximum Path Hubs % 100
AnnotationTypeLinks
Gene OntologyMolecular Function
Gene OntologyBiological Process
Gene OntologyCellular Component
SCOP2Domain Identifier
SCOP2Family Identifier
Membrane Protein Annotations-• Orientations of Proteins in Membranes database (OPM)   • Protein Data Bank of Transmembrane Proteins (PDBTM)   • MemProtMD


Details about the values in these tables can be found in the corresponding documentation page .
CodeE33
PDB ResiduesL:L:?1 M:M:?1
Environment DetailsOpen EMBL-EBI Page
CodeE33
Name(8~{a}~{R},12~{a}~{S},13~{a}~{R})-12-ethylsulfonyl-3-methoxy-5,6,8,8~{a},9,10,11,12~{a},13,13~{a}-decahydroisoquinolino[2,1-g][1,6]naphthyridine
Synonyms
Identifier(8~{a}~{R},12~{a}~{S},13~{a}~{R})-12-ethylsulfonyl-3-methoxy-5,6,8,8~{a},9,10,11,12~{a},13,13~{a}-decahydroisoquinolino[2,1-g][1,6]naphthyridine
FormulaC19 H28 N2 O3 S
Molecular Weight364.502
SMILESCCS(=O)(=O)N1CCC[C@H]2[C@@H]1C[C@@H]3c4ccc(cc4CCN3C2)OC
PubChem57213234
Formal Charge0
Total Atoms53
Total Chiral Atoms3
Total Bonds56
Total Aromatic Bonds6

PDBsumOpen PDBsum Page
ChainR
ProteinReceptor
UniProtP18825
Sequence
>6KUW_poly_Chain_R
PPRGQYSAG AVAGLAAVV GFLIVFTVV GNVLVVIAV LTSRALRAP 
QNLFLVSLA SADILVATL VMPFSLANE LMAYWYFGQ WWCGVYLAL 
DVLFCTSSA VHLCAISLD RYWSVTQAV EYNLKRTPR RVKATIVAV 
WLISAVISF PPLVSLAAY PQCGLNDET WYILSSCIG SFFAPCLIM 
GLVYARIYR VAKLRTVAQ AREKRFTFV LAVVMGVWV LCWFPFFFS 
YSLYGICRE ACQVPGPLF KFFFWIGYC NSSLNPVIY TVFNQDFRR 
SFKHILFR


Click on each residue to open a popup with some information about it.

ConSurf Conservation Grade (See documentation): 

 n/a   1    2    3    4    5    6    7    8    9  




This receptor, from the same or other species and bound to the same or other ligands, is also present in the following networks:
Show PDB Class SubFamily Type SubType Species Orthosteric Ligand Other Ligand(s) Protein Partners Resolution Date DOI
6KUWAAmineAdrenergicα2cHomo sapiensPubChem 57213234--2.82019-12-0410.1038/nature06325
6KUW (Dimer)AAmineAdrenergicα2cHomo sapiensPubChem 57213234--2.82019-12-0410.1038/nature06325




You can download a compressed (zip) file with structure(s), 3D outputs (as PyMol and VMD scripts) and numerical data files (as csv and plain text files).

Download 6KUW_poly.zip



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