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 9.681671210
2R:R:I58 2.8725404
3R:R:Y66 12.0425406
4R:R:N77 7.55439
5R:R:I96 2.555425
6R:R:Y97 4.98875827
7R:R:D105 9.7425439
8R:R:F114 10.026515
9R:R:W124 9.43718
10R:R:F126 8.282517
11R:R:L130 7.844515
12R:R:Y140 7.735405
13R:R:F143 7.4425406
14R:R:M151 4.0725426
15R:R:Y157 7.066507
16R:R:W183 8.2575409
17R:R:F231 6.3375415
18R:R:Y246 7.394558
19R:R:K265 5.175404
20R:R:C286 2.4875408
21R:R:W287 7.072508
22R:R:I290 3.855416
23R:R:H291 7.0525418
24R:R:F293 8.2325415
25R:R:Y312 6.98414
26R:R:I316 5.154515
27R:R:Y320 5.5225416
28R:R:L329 1.81408
29R:R:Y330 4.88167649
30R:R:F337 7.4825408
   

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:I316 28.48745.25YesYes105
2R:R:I316 R:R:Y66 19.43324.84YesYes056
3R:R:Y313 R:R:Y66 13.741736.74NoYes046
4R:R:I62 R:R:Y313 10.0829.67NoNo054
5L:L:?1 R:R:C210 50.43372.34YesNo109
6R:R:C210 R:R:W124 47.403820.89NoYes198
7R:R:F114 R:R:W124 15.47657.02YesYes158
8L:L:?1 R:R:Y320 48.04544.31YesYes106
9R:R:V108 R:R:Y320 46.33442.52NoYes076
10R:R:S323 R:R:V108 44.62336.46NoNo087
11R:R:D105 R:R:S323 27.97654.42YesNo398
12R:R:D105 R:R:P327 13.426811.27YesNo399
13R:R:I328 R:R:P327 11.7931.69NoNo079
14R:R:D105 R:R:N77 13.426817.5YesYes399
15L:L:?1 R:R:M142 51.051612.48YesNo007
16R:R:M142 R:R:W287 51.41994.65NoYes078
17R:R:N322 R:R:W287 10016.95NoYes098
18R:R:N322 R:R:N326 83.26410.9NoNo099
19R:R:N326 R:R:Y330 79.70533.49NoYes499
20R:R:M152 R:R:Y330 34.27995.99NoYes089
21R:R:I98 R:R:M152 18.01332.92NoNo088
22R:R:F337 R:R:I98 10.12366.28YesNo088
23L:L:?1 R:R:H291 57.206510.4YesYes108
24R:R:H291 R:R:W287 60.03454.23YesYes088
25L:L:?1 R:R:V230 20.99577.67YesNo005
26R:R:F143 R:R:V230 20.01543.93YesNo065
27R:R:F143 R:R:F147 23.22368.57YesNo066
28R:R:F147 R:R:I182 23.03947.54NoNo067
29R:R:I182 R:R:M151 23.01572.92NoYes076
30R:R:M151 R:R:Y97 26.39615.99YesYes267
31R:R:N179 R:R:Y97 27.32310.47NoYes277
32R:R:N100 R:R:N179 17.835117.71NoNo297
33R:R:N100 R:R:W183 16.96179.04NoYes099
34R:R:S323 R:R:T109 14.9183.2NoNo386
35R:R:I316 R:R:Y312 11.34157.25YesYes154
36R:R:I208 R:R:W124 12.71399.4NoYes048
37L:L:?1 R:R:Y139 18.54810.35YesNo005
38R:R:A193 R:R:Y139 18.63712.67NoNo055
39R:R:A193 R:R:S136 15.15571.71NoNo055
40R:R:I194 R:R:S136 13.27233.1NoNo045
41R:R:I146 R:R:W287 12.28613.52NoYes078
42R:R:I146 R:R:P238 10.80093.39NoNo079
43R:R:R156 R:R:Y330 75.20794.12NoYes099
44R:R:R156 R:R:Y246 73.95449.26NoYes098
45R:R:S153 R:R:Y246 39.365513.99NoYes598
46R:R:C245 R:R:S153 38.04665.16NoNo079
47R:R:C245 R:R:Y157 34.70776.72NoYes077
48R:R:C161 R:R:Y157 13.89028.06NoYes077
49R:R:C161 R:R:R252 12.09012.79NoNo075
50R:R:V276 R:R:Y246 29.72317.57NoYes088
51R:R:L277 R:R:V276 24.78021.49NoNo048
52R:R:L277 R:R:T273 23.00971.47NoNo046
53R:R:L269 R:R:T273 21.4711.47NoNo066
54R:R:L259 R:R:L269 18.72622.77NoNo036
55L:L:?1 R:R:I294 10.77129.45YesNo105
56R:R:K265 R:R:L259 13.80112.82YesNo043
57R:R:C286 R:R:N322 21.46513.15YesNo089
58R:R:C286 R:R:V282 12.04851.71YesNo087
59R:R:L329 R:R:V282 11.21671.49YesNo087
60R:R:L329 R:R:L333 11.32962.77YesNo087
61R:R:G73 R:R:T109 13.71791.82NoNo086
62R:R:M152 R:R:Y97 21.13245.99NoYes087
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:Q115 15.67 1 Yes No 0 7 0 1
L:L:?1 R:R:L135 8.15 1 Yes No 0 4 0 1
L:L:?1 R:R:D138 26.96 1 Yes No 0 6 0 1
L:L:?1 R:R:Y139 10.35 1 Yes No 0 5 0 1
L:L:?1 R:R:M142 12.48 1 Yes No 0 7 0 1
L:L:?1 R:R:V230 7.67 1 Yes No 0 5 0 1
L:L:?1 R:R:I290 3.15 1 Yes Yes 0 6 0 1
L:L:?1 R:R:H291 10.4 1 Yes Yes 0 8 0 1
L:L:?1 R:R:I294 9.45 1 Yes No 0 5 0 1
L:L:?1 R:R:I316 5.25 1 Yes Yes 0 5 0 1
L:L:?1 R:R:Y320 4.31 1 Yes Yes 0 6 0 1
R:R:I316 R:R:Y66 4.84 1 Yes Yes 5 6 1 2
R:R:V108 R:R:Y320 2.52 0 No Yes 7 6 2 1
R:R:T111 R:R:Y320 6.24 0 No Yes 7 6 2 1
R:R:I316 R:R:Q115 5.49 1 Yes No 5 7 1 1
R:R:Q115 R:R:Y320 9.02 1 No Yes 7 6 1 1
R:R:C131 R:R:W124 7.84 1 No Yes 9 8 2 2
R:R:C210 R:R:W124 20.89 1 No Yes 9 8 1 2
R:R:C131 R:R:C210 7.28 1 No No 9 9 2 1
R:R:V189 R:R:Y139 3.79 0 No No 5 5 2 1
R:R:A193 R:R:Y139 2.67 0 No No 5 5 2 1
R:R:M142 R:R:W287 4.65 0 No Yes 7 8 1 2
R:R:F143 R:R:V189 13.11 0 Yes No 6 5 2 2
R:R:F143 R:R:V230 3.93 0 Yes No 6 5 2 1
R:R:I294 R:R:K227 2.91 1 No No 5 4 1 2
R:R:F231 R:R:F235 7.5 1 Yes No 5 8 2 2
R:R:F231 R:R:H291 9.05 1 Yes Yes 5 8 2 1
R:R:F235 R:R:H291 4.53 1 No Yes 8 8 2 1
R:R:H291 R:R:W287 4.23 1 Yes Yes 8 8 1 2
R:R:I290 R:R:I294 4.42 1 Yes No 6 5 1 1
R:R:C315 R:R:I290 4.91 0 No Yes 7 6 2 1
R:R:I290 R:R:I316 2.94 1 Yes Yes 6 5 1 1
R:R:I316 R:R:Y312 7.25 1 Yes Yes 5 4 1 2
L:L:?1 R:R:C210 2.34 1 Yes No 0 9 0 1

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 8DZR_nogp
Class
SubFamily
Type
SubType
Species
Ligand
Other Ligand(s)
Protein Partners
PDB Resolution
Date
D.O.I.
Net Summary
Imin 2.52
Number of Linked Nodes 235
Number of Links 262
Number of Hubs 30
Number of Links mediated by Hubs 125
Number of Communities 6
Number of Nodes involved in Communities 41
Number of Links involved in Communities 55
Path Summary
Number Of Nodes in MetaPath 63
Number Of Links MetaPath 62
Number of Shortest Paths 36252
Length Of Smallest Path 3
Average Path Length 12.2852
Length of Longest Path 28
Minimum Path Strength 1.47
Average Path Strength 6.74342
Maximum Path Strength 26.5667
Minimum Path Correlation 0.7
Average Path Correlation 0.918153
Maximum Path Correlation 0.99
Minimum % Of Corr. Nodes 4.7619
Average % Of Corr. Nodes 48.2886
Maximum % Of Corr. Nodes 100
Minimum Path Hubs % 0
Average Path Hubs % 38.6803
Maximum Path Hubs % 100
AnnotationTypeLinks
Gene OntologyMolecular Function
Gene OntologyBiological Process
Gene OntologyCellular Component
SCOP2Domain Identifier• G protein-coupled receptor-like
SCOP2Family Identifier• 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 .
CodeU9I
PDB ResiduesL:L:?1
Environment DetailsOpen EMBL-EBI Page
CodeU9I
Namemethyl (3R)-4-[(3,4-dichlorophenyl)acetyl]-3-[(pyrrolidin-1-yl)methyl]piperazine-1-carboxylate
Synonyms
Identifier
FormulaC19 H25 Cl2 N3 O3
Molecular Weight414.326
SMILES
PubChem6603856
Formal Charge0
Total Atoms52
Total Chiral Atoms1
Total Bonds54
Total Aromatic Bonds6

PDBsumOpen PDBsum Page
ChainR
ProteinReceptor
UniProtP41145
Sequence
>8DZR_nogp_Chain_R
PAIPVIITA VYSVVFVVG LVGNSLVMF VIIKTATNI YIFNLALAD 
ALVTTTMPF QSTVYLMNS WPFGDVLCK IVLSIDYYN MFTSIFTLT 
MMSVDRYIA VCHPVKALD FRTPLKAKI INICIWLLS SSVGISAIV 
LGGTKVVIE CSLQWWDLF MKICVFIFA FVIPVLIII VCYTLMILR 
LKSVRLLSG SREKDRNLR RITRLVLVV VAVFVVCWT PIHIFILVE 
ALAALSSYY FCIALGYTN SSLNPILYA FLDENF


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
4DJHAPeptideOpioidκHomo sapiensJDTic--2.92012-03-21doi.org/10.1038/nature10939
6B73APeptideOpioidκHomo sapiensMP1104--3.12018-01-17doi.org/10.1016/j.cell.2017.12.011
6VI4APeptideOpioidκHomo sapiensJDTic--3.32020-03-18doi.org/10.1038/s41467-020-14889-7
8F7WAPeptideOpioidκHomo sapiensDynorphin-Gi1/β1/γ23.192022-12-14doi.org/10.1016/j.cell.2022.12.026
8F7W (No Gprot) APeptideOpioidκHomo sapiensDynorphin-3.192022-12-14doi.org/10.1016/j.cell.2022.12.026
7YITAPeptideOpioidκHomo sapiensNalfurafine--3.32023-04-12doi.org/10.1038/s41467-023-37041-7
8DZPAPeptideOpioidκHomo sapiensmomSalB-Gi1/β1/γ22.712023-05-03doi.org/10.1038/s41586-023-06030-7
8DZP (No Gprot) APeptideOpioidκHomo sapiensmomSalB-2.712023-05-03doi.org/10.1038/s41586-023-06030-7
8DZQAPeptideOpioidκHomo sapiensmomSalB-Go/β1/γ22.822023-05-03doi.org/10.1038/s41586-023-06030-7
8DZQ (No Gprot) APeptideOpioidκHomo sapiensmomSalB-2.822023-05-03doi.org/10.1038/s41586-023-06030-7
8DZRAPeptideOpioidκHomo sapiensGR89,696-chim(NtGi2-Gt3)/β1/γ22.612023-05-03doi.org/10.1038/s41586-023-06030-7
8DZR (No Gprot) APeptideOpioidκHomo sapiensGR89,696-2.612023-05-03doi.org/10.1038/s41586-023-06030-7
8DZSAPeptideOpioidκHomo sapiensGR89,696-chim(NtGi2-Gz)/β1/γ22.652023-05-03doi.org/10.1038/s41586-023-06030-7
8DZS (No Gprot) APeptideOpioidκHomo sapiensGR89,696-2.652023-05-03doi.org/10.1038/s41586-023-06030-7
7Y1FAPeptideOpioidκHomo sapiensDynorphin-Gi1/β1/γ23.32023-05-24doi.org/10.1093/procel/pwac033
7Y1F (No Gprot) APeptideOpioidκHomo sapiensDynorphin-3.32023-05-24doi.org/10.1093/procel/pwac033
9MQKAPeptideOpioidκHomo sapiensIsoquinuclidine--3.182025-02-12doi.org/10.1101/2025.01.09.632033
9MQLAPeptideOpioidκHomo sapiensIsoquinuclidine--2.962025-02-12doi.org/10.1101/2025.01.09.632033
8FEGAPeptideOpioidκHomo sapiens(DNCP)-β-Naloxamine-Gi1/β1/γ22.542023-12-06doi.org/10.1038/s41467-023-43718-w
8FEG (No Gprot) APeptideOpioidκHomo sapiens(DNCP)-β-Naloxamine-2.542023-12-06doi.org/10.1038/s41467-023-43718-w
8VVEAPeptideOpioidκHomo sapiensnorBNI-Gi1/β1/γ23.32025-01-15doi.org/10.1038/s41589-024-01812-0
8VVE (No Gprot) APeptideOpioidκHomo sapiensnorBNI-3.32025-01-15doi.org/10.1038/s41589-024-01812-0
8VVFAPeptideOpioidκHomo sapiensJDTic-Gi1/β1/γ232025-01-15doi.org/10.1038/s41589-024-01812-0
8VVF (No Gprot) APeptideOpioidκHomo sapiensJDTic-32025-01-15doi.org/10.1038/s41589-024-01812-0
8VVGAPeptideOpioidκHomo sapiensGB18-Gi1/β1/γ23.32025-01-15doi.org/10.1038/s41589-024-01812-0
8VVG (No Gprot) APeptideOpioidκHomo sapiensGB18-3.32025-01-15doi.org/10.1038/s41589-024-01812-0
9D61APeptideOpioidκHomo sapiensJDTic-Gi1/β1/γ23.582025-01-15doi.org/10.1038/s41589-024-01812-0
9D61 (No Gprot) APeptideOpioidκHomo sapiensJDTic-3.582025-01-15doi.org/10.1038/s41589-024-01812-0
9V6OAPeptideOpioidκHomo sapiensNalfurafine-Gi1/β1/γ22.762025-11-1910.1038/s41467-025-64882-1
9V6O (No Gprot) APeptideOpioidκHomo sapiensNalfurafine-2.762025-11-1910.1038/s41467-025-64882-1
9W49APeptideOpioidκHomo sapiensU-50488H-Gi1/β1/γ22.92025-11-1910.1038/s41467-025-64882-1
9W49 (No Gprot) APeptideOpioidκHomo sapiensU-50488H-2.92025-11-1910.1038/s41467-025-64882-1
9L60APeptideOpioidκHomo sapiensDynorphinMPAM-15Gi1/β1/γ22.92025-12-31To be published
9L60 (No Gprot) APeptideOpioidκHomo sapiensDynorphinMPAM-152.92025-12-31To be published




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 8DZR_nogp.zip



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