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
1L:L:?1 5.9551210
2R:R:L34 5.725447
3R:R:T37 4.3225446
4R:R:I38 4.5775446
5R:R:D41 6.2775427
6R:R:N45 7.03529
7R:R:F65 4.885457
8R:R:L69 4.875429
9R:R:D73 6.012529
10R:R:Y79 8.222505
11R:R:Y81 7.64833647
12R:R:L83 4.495436
13R:R:W93 4.785638
14R:R:I115 5.92517
15R:R:I121 5.995429
16R:R:N124 8.015458
17R:R:R125 8.4429
18R:R:Y126 8.345408
19R:R:Y139 5.46714756
20R:R:Y147 3.8175455
21R:R:V148 3.816507
22R:R:T155 5.435408
23R:R:N162 7.6525414
24R:R:T167 6.7425414
25R:R:C177 4.9925439
26R:R:F179 9.194514
27R:R:Q181 5.545413
28R:R:Y187 7.17167616
29R:R:H195 7.745415
30R:R:Y207 8.465429
31R:R:W211 6.03405
32R:R:F237 7.215406
33R:R:M240 3.1175407
34R:R:F244 10.16428
35R:R:F247 4.614509
36R:R:W251 7.33286718
37R:R:N255 7.13417
38R:R:F277 6.535613
39R:R:Y281 8.015615
40R:R:F286 5.6825444
41R:R:Y295 6.91629
42R:R:E305 5.08406
43R:R:Y306 6.556506
   

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:Y281 47.87753.46YesYes105
2R:R:Y281 R:R:Y285 21.13684.96YesNo056
3R:R:Y285 R:R:Y81 22.1749.93NoYes067
4R:R:T37 R:R:Y81 12.20053.75YesYes467
5L:L:?1 R:R:H195 30.36264.75YesYes105
6R:R:H195 R:R:I115 35.166411.93YesYes157
7R:R:I115 R:R:S114 53.4254.64YesNo079
8R:R:D73 R:R:S114 53.16775.89YesNo099
9R:R:D41 R:R:D73 30.12147.98YesYes279
10L:L:?1 R:R:W251 65.40845.89YesYes108
11R:R:I115 R:R:W251 38.49095.87YesYes178
12R:R:N287 R:R:W251 43.704813.56NoYes098
13R:R:N287 R:R:N291 34.286112.26NoNo099
14R:R:D73 R:R:N291 28.89134.04YesNo099
15R:R:S288 R:R:Y81 36.54537.63NoYes097
16R:R:D41 R:R:S288 36.52924.42YesNo079
17R:R:D73 R:R:N45 21.24548.08YesYes299
18R:R:A70 R:R:N45 25.04824.69NoYes099
19R:R:A70 R:R:V48 22.51573.39NoNo098
20R:R:V48 R:R:Y306 21.22533.79NoYes086
21R:R:S51 R:R:Y306 12.36943.82NoYes086
22R:R:E305 R:R:S51 11.02675.75YesNo068
23L:L:?1 R:R:M107 15.9274.18YesNo006
24R:R:M107 R:R:P80 14.37136.71NoNo066
25R:R:P80 R:R:V76 15.77025.3NoNo067
26R:R:D73 R:R:L69 1004.07YesYes299
27R:R:I121 R:R:L69 20.25654.28YesYes299
28R:R:I121 R:R:V66 30.35056.14YesNo098
29R:R:F302 R:R:V66 27.58882.62NoNo088
30R:R:F302 R:R:N63 14.10196.04NoNo088
31R:R:F247 R:R:I115 20.25253.77YesYes097
32R:R:F247 R:R:I118 19.79426.28YesNo099
33R:R:I118 R:R:Y295 24.1964.84NoYes099
34R:R:I121 R:R:Y295 14.25476.04YesYes299
35R:R:F247 R:R:N287 10.70513.62YesNo099
36R:R:L69 R:R:N117 87.85984.12YesNo097
37R:R:N117 R:R:S68 84.25395.96NoNo079
38R:R:S68 R:R:V148 83.03593.23NoYes097
39R:R:F65 R:R:V148 75.55885.24YesYes077
40R:R:F65 R:R:Y139 62.58644.13YesYes576
41R:R:P80 R:R:Y79 24.98794.17NoYes065
42R:R:S103 R:R:Y79 13.23775.09NoYes055
43R:R:C177 R:R:S103 12.16433.44YesNo095
44L:L:?1 R:R:Y187 29.81193.46YesYes106
45R:R:N162 R:R:Y187 16.67074.65YesYes146
46R:R:C127 R:R:Y139 50.23722.69NoYes056
47R:R:C127 R:R:H131 48.81812.95NoNo056
48R:R:H131 R:R:Y126 47.39118.71NoYes068
49R:R:C130 R:R:Y126 17.78428.06NoYes078
50R:R:R209 R:R:Y126 28.29637.2NoYes048
51R:R:C130 R:R:L213 12.96834.76NoNo075
52L:L:?1 R:R:F179 12.10417.09YesYes104
53R:R:I174 R:R:Y281 10.74537.25NoYes115
54R:R:F277 R:R:Y281 37.6995.16YesYes135
55L:L:?1 R:R:Q181 12.62264.91YesYes103
56R:R:F196 R:R:N255 11.673914.5NoYes087
57R:R:I212 R:R:R209 25.41812.51NoNo034
58R:R:I212 R:R:W211 23.86243.52NoYes035
59R:R:F237 R:R:W211 12.94028.02YesYes065
60R:R:L213 R:R:Q216 11.56131.33NoNo054
61R:R:F277 R:R:R173 22.358919.24YesNo135
62R:R:R173 R:R:V269 20.43331.31NoNo053
63R:R:F302 R:R:N299 11.39.67NoNo088
64R:R:P265 R:R:V269 16.14811.77NoNo033
65R:R:D264 R:R:P265 13.86481.61NoNo043
66R:R:V76 R:R:Y81 17.273713.88NoYes077
67R:R:N255 R:R:W251 14.88994.52YesYes178
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
L:L:?1 R:R:M107 4.18 1 Yes No 0 6 0 1
L:L:?1 R:R:G108 8.84 1 Yes No 0 4 0 1
L:L:?1 R:R:I112 4.22 1 Yes No 0 6 0 1
L:L:?1 R:R:F179 17.09 1 Yes Yes 0 4 0 1
L:L:?1 R:R:Q181 4.91 1 Yes Yes 0 3 0 1
L:L:?1 R:R:Y187 3.46 1 Yes Yes 0 6 0 1
L:L:?1 R:R:V191 5.5 1 Yes No 0 5 0 1
L:L:?1 R:R:H195 4.75 1 Yes Yes 0 5 0 1
L:L:?1 R:R:W251 5.89 1 Yes Yes 0 8 0 1
L:L:?1 R:R:L254 4.09 1 Yes No 0 6 0 1
L:L:?1 R:R:N255 5.07 1 Yes Yes 0 7 0 1
L:L:?1 R:R:Y281 3.46 1 Yes Yes 0 5 0 1
R:R:M107 R:R:P80 6.71 0 No No 6 6 1 2
R:R:V111 R:R:W251 7.36 0 No Yes 7 8 2 1
R:R:F116 R:R:I112 7.54 0 No No 5 6 2 1
R:R:H195 R:R:I112 7.95 1 Yes No 5 6 1 1
R:R:H195 R:R:I115 11.93 1 Yes Yes 5 7 1 2
R:R:I115 R:R:W251 5.87 1 Yes Yes 7 8 2 1
R:R:P161 R:R:Y187 9.74 0 No Yes 6 6 2 1
R:R:N162 R:R:T167 8.77 1 Yes Yes 4 4 2 2
R:R:N162 R:R:Y187 4.65 1 Yes Yes 4 6 2 1
R:R:F179 R:R:T167 7.78 1 Yes Yes 4 4 1 2
R:R:T167 R:R:Y187 8.74 1 Yes Yes 4 6 2 1
R:R:F277 R:R:I174 3.77 1 Yes No 3 1 2 2
R:R:I174 R:R:Y281 7.25 1 No Yes 1 5 2 1
R:R:T178 R:R:Y281 4.99 0 No Yes 4 5 2 1
R:R:F179 R:R:Q181 5.86 1 Yes Yes 4 3 1 1
R:R:F179 R:R:Y187 11.35 1 Yes Yes 4 6 1 1
R:R:F179 R:R:T188 3.89 1 Yes No 4 5 1 2
R:R:Q181 R:R:T188 4.25 1 Yes No 3 5 1 2
R:R:Q181 R:R:V261 7.16 1 Yes No 3 3 1 2
R:R:S184 R:R:Y187 5.09 0 No Yes 4 6 2 1
R:R:N255 R:R:V192 4.43 1 Yes No 7 5 1 2
R:R:H195 R:R:W251 6.35 1 Yes Yes 5 8 1 1
R:R:F196 R:R:N255 14.5 0 No Yes 8 7 2 1
R:R:N255 R:R:W251 4.52 1 Yes Yes 7 8 1 1
R:R:A284 R:R:W251 7.78 0 No Yes 7 8 2 1
R:R:N287 R:R:W251 13.56 0 No Yes 9 8 2 1
R:R:L254 R:R:S280 6.01 1 No No 6 7 1 2
R:R:L254 R:R:Y281 22.27 1 No Yes 6 5 1 1
R:R:F277 R:R:Y281 5.16 1 Yes Yes 3 5 2 1
R:R:Y281 R:R:Y285 4.96 1 Yes No 5 6 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 7VGY_nogp
Class
SubFamily
Type
SubType
Species
Ligand
Other Ligand(s)
Protein Partners
PDB Resolution
Date
D.O.I.
Net Summary
Imin 3.39
Number of Linked Nodes 252
Number of Links 287
Number of Hubs 43
Number of Links mediated by Hubs 159
Number of Communities 6
Number of Nodes involved in Communities 50
Number of Links involved in Communities 71
Path Summary
Number Of Nodes in MetaPath 68
Number Of Links MetaPath 67
Number of Shortest Paths 55326
Length Of Smallest Path 3
Average Path Length 13.1334
Length of Longest Path 31
Minimum Path Strength 1.395
Average Path Strength 5.70039
Maximum Path Strength 17.065
Minimum Path Correlation 0.7
Average Path Correlation 0.921471
Maximum Path Correlation 1
Minimum % Of Corr. Nodes 4
Average % Of Corr. Nodes 45.5028
Maximum % Of Corr. Nodes 100
Minimum Path Hubs % 0
Average Path Hubs % 49.7808
Maximum Path Hubs % 100
AnnotationTypeLinks
Gene OntologyMolecular Function
Gene OntologyBiological Process
Gene OntologyCellular Component
SCOP2Domain Identifier• Transducin (heterotrimeric G protein), gamma chain   • Ras-like P-loop GTPases   • G protein-coupled receptor-like
SCOP2Family Identifier• Transducin (heterotrimeric G protein), gamma chain   • Ras-like P-loop GTPases   • G protein-coupled receptor-like
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 .
CodeML2
PDB ResiduesL:L:?1
Environment DetailsOpen EMBL-EBI Page
CodeML2
NameN-[2-(2-iodo-5-methoxy-1H-indol-3-yl)ethyl]acetamide
SynonymsN-[2-(2-iodo-5-methoxy-1H-indol-3-yl)ethyl]acetamide
Identifier
FormulaC13 H15 I N2 O2
Molecular Weight358.175
SMILES
PubChem115348
Formal Charge0
Total Atoms33
Total Chiral Atoms0
Total Bonds34
Total Aromatic Bonds10

PDBsumOpen PDBsum Page
ChainR
ProteinReceptor
UniProtP48039
Sequence
>7VGY_nogp_Chain_R
PSWLASALA CVLIFTIVV DILGNLLVI LSVYRNKKL RNAGNIFVV 
SLAVADLVV AIYPYPLVL MSIFNNGWN LGYLHCQVS GFLMGLSVI 
GSIFNITGI AINRYCYIC HSLKYDKLY SSKNSLCYV LLIWLLTLA 
AVLPNLRAG TLQYDPRIY SCTFAQSVS SAYTIAVVV FHFLVPMII 
VIFCYLRIW ILVLQVRQR VKPFRNFVT MFVVFVLFA ICWAPLNFI 
GLAVASDPA SMVPRIPEW LFVASYYMA YFNSCLNAI IYGLLNQNF 
RKEYRRIIV SL


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
6ME2AMelatoninMelatoninMT1Homo sapiensRamelteon--2.82019-04-24doi.org/10.1038/s41586-019-1141-3
6ME3AMelatoninMelatoninMT1Homo sapiens2-Phenylmelatonin--2.92019-04-24doi.org/10.1038/s41586-019-1141-3
6ME4AMelatoninMelatoninMT1Homo sapiens2-Iodomelatonin--3.22019-04-24doi.org/10.1038/s41586-019-1141-3
6ME5AMelatoninMelatoninMT1Homo sapiensAgomelatine--3.22019-04-24doi.org/10.1038/s41586-019-1141-3
6PS8AMelatoninMelatoninMT1Homo sapiens2-Phenylmelatonin--3.32019-11-13doi.org/10.1107/S2052252519013137
7DB6AMelatoninMelatoninMT1Homo sapiensRamelteon-Gi1/β1/γ23.32021-08-18doi.org/10.1038/s41594-021-00634-1
7DB6 (No Gprot) AMelatoninMelatoninMT1Homo sapiensRamelteon-3.32021-08-18doi.org/10.1038/s41594-021-00634-1
7VGYAMelatoninMelatoninMT1Homo sapiens2-Iodomelatonin-Gi1/β1/γ23.12022-03-02doi.org/10.1038/s41467-022-28111-3
7VGY (No Gprot) AMelatoninMelatoninMT1Homo sapiens2-Iodomelatonin-3.12022-03-02doi.org/10.1038/s41467-022-28111-3
7VGZAMelatoninMelatoninMT1Homo sapiensRamelteon-Gi1/β1/γ23.32022-03-02doi.org/10.1038/s41467-022-28111-3
7VGZ (No Gprot) AMelatoninMelatoninMT1Homo sapiensRamelteon-3.32022-03-02doi.org/10.1038/s41467-022-28111-3




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 7VGY_nogp.zip



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