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:Y12 6.54509
2R:R:I27 2.385407
3R:R:P40 4.77527
4R:R:Y44 7.784527
5R:R:L48 6.0225439
6R:R:D52 8.17439
7R:R:L55 4.6725407
8R:R:W72 8.47333619
9R:R:F82 7.4525415
10R:R:H86 5.69516
11R:R:F87 5.3975416
12R:R:Y91 5.768508
13R:R:F96 6.67571736
14R:R:L97 5.7725438
15R:R:Y105 4.69833627
16R:R:Y114 7.32526
17R:R:S123 5.01428
18R:R:H137 8.495405
19R:R:L171 4.115415
20R:R:E172 5.2875406
21R:R:W174 4.3725404
22R:R:D175 8.37416
23R:R:F191 8.43509
24R:R:F202 6.155408
25R:R:C205 1.81407
26R:R:Y240 9.625418
27R:R:F248 6.8825415
28R:R:R258 6.1025417
29R:R:V269 4.3225407
30R:R:N272 9.33439
31W:W:?1 5.838891820
   

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
1R:R:A63 R:R:F9 10.90322.77NoNo076
2R:R:A63 R:R:Y12 13.58751.33NoYes079
3R:R:I263 R:R:Y12 23.80878.46NoYes069
4R:R:I263 R:R:L11 18.88612.85NoNo065
5R:R:L11 R:R:L7 16.25431.38NoNo057
6R:R:L7 R:R:P4 13.58753.28NoNo076
7R:R:K62 R:R:Y12 31.940216.72NoYes079
8R:R:L262 R:R:Y12 10.99943.52NoYes059
9R:R:G19 R:R:L18 10.74581.71NoNo086
10R:R:G19 R:R:V269 12.84433.68NoYes087
11R:R:L55 R:R:V269 1004.47YesYes077
12R:R:H86 R:R:L55 99.84265.14YesYes067
13R:R:H86 R:R:K62 36.39076.55YesNo067
14R:R:T56 R:R:V269 16.64774.76NoYes067
15R:R:D52 R:R:V269 98.45244.38YesYes097
16R:R:D52 R:R:N23 18.95613.46YesNo099
17R:R:L53 R:R:N23 10.70212.75NoNo079
18R:R:P40 W:W:?1 13.79735.47YesYes270
19R:R:I130 W:W:?1 81.83966.65NoYes060
20R:R:F96 R:R:I130 82.32057.54YesNo066
21R:R:F96 R:R:L48 85.7834.87YesYes369
22R:R:D52 R:R:L48 81.48994.07YesYes399
23R:R:Y114 W:W:?1 11.2187.02YesYes260
24R:R:R118 R:R:Y114 11.8310.29NoYes286
25R:R:S123 W:W:?1 17.82814YesYes280
26R:R:Y44 W:W:?1 10.326110.93YesYes270
27R:R:L100 R:R:Y44 10.24743.52NoYes087
28R:R:S123 R:R:V43 18.37894.85YesNo087
29R:R:V43 R:R:W124 16.499117.16NoNo074
30R:R:A30 R:R:A45 10.43981.79NoNo067
31R:R:A30 R:R:L46 12.4773.15NoNo066
32R:R:L46 R:R:W124 14.49683.42NoNo064
33R:R:D52 R:R:N272 14.855310.77YesYes399
34R:R:F82 R:R:S58 14.63673.96YesNo057
35R:R:H86 R:R:S58 16.53418.37YesNo067
36R:R:F82 R:R:L171 25.87223.65YesYes155
37R:R:H86 R:R:L171 21.23813.86YesYes165
38R:R:E65 R:R:L171 12.50335.3NoYes075
39R:R:F82 R:R:W72 35.061610.02YesYes159
40R:R:E172 R:R:E65 14.53185.07YesNo067
41R:R:L74 R:R:W72 13.246510.25NoYes179
42R:R:L74 R:R:L78 10.01145.54NoNo075
43R:R:D175 R:R:N244 19.51564.04YesNo167
44R:R:N244 R:R:Y240 20.591113.96NoYes178
45R:R:L262 R:R:Y240 11.837.03NoYes058
46R:R:F87 R:R:H86 50.1184.53YesYes166
47R:R:F87 R:R:Y240 42.6869.28YesYes168
48R:R:F87 R:R:Y91 57.47144.13YesYes068
49R:R:L138 R:R:Y91 11.82135.86NoYes068
50R:R:L190 R:R:Y91 14.2875.86NoYes068
51R:R:N241 R:R:Y91 41.724210.47NoYes098
52R:R:F191 R:R:N241 40.806213.29YesNo099
53R:R:F191 R:R:V237 35.44645.24YesNo098
54R:R:L233 R:R:V237 34.86054.47NoNo098
55R:R:L233 R:R:T198 34.44964.42NoNo098
56R:R:S101 R:R:T198 18.02056.4NoNo098
57R:R:C201 R:R:S101 17.88935.16NoNo079
58R:R:L106 W:W:?1 31.15333.69NoYes270
59R:R:L106 R:R:Y105 35.58633.52NoYes277
60R:R:A109 R:R:Y105 17.02375.34NoYes287
61R:R:Q115 R:R:R118 17.85435.84NoNo058
62R:R:Q115 R:R:R218 14.17335.84NoNo055
63R:R:H137 R:R:L190 12.223510.29YesNo056
64R:R:R258 R:R:Y240 15.23138.23YesYes178
65R:R:R258 R:R:W174 12.28475YesYes074
66R:R:F202 R:R:L230 20.18894.87YesNo088
67R:R:L230 R:R:T198 23.51142.95NoNo088
68R:R:A108 R:R:K219 19.42821.61NoNo086
69R:R:A108 R:R:C205 13.03661.81NoYes087
70R:R:A226 R:R:C205 15.78211.81NoYes077
71R:R:A226 R:R:F202 15.51982.77NoYes078
72R:R:A108 R:R:A208 13.44761.79NoNo085
73R:R:A109 R:R:A208 15.311.79NoNo085
74R:R:C236 R:R:S268 12.63443.44NoNo089
75R:R:N272 R:R:S268 14.68045.96YesNo099
76R:R:R218 R:R:T215 11.19172.59NoNo053
77R:R:F87 R:R:L171 13.29023.65YesYes165
78R:R:C201 R:R:Y105 17.81066.72NoYes077
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
R:R:P40 R:R:T39 3.5 2 Yes No 7 7 1 2
R:R:P40 R:R:Y114 5.56 2 Yes Yes 7 6 1 1
R:R:P40 R:R:R118 5.76 2 Yes No 7 8 1 2
R:R:P40 R:R:S123 3.56 2 Yes Yes 7 8 1 1
R:R:P40 W:W:?1 5.47 2 Yes Yes 7 0 1 0
R:R:S123 R:R:V43 4.85 2 Yes No 8 7 1 2
R:R:A99 R:R:Y44 8.01 2 No Yes 6 7 1 1
R:R:L100 R:R:Y44 3.52 0 No Yes 8 7 2 1
R:R:S123 R:R:Y44 7.63 2 Yes Yes 8 7 1 1
R:R:V126 R:R:Y44 8.83 2 No Yes 5 7 1 1
R:R:Y44 W:W:?1 10.93 2 Yes Yes 7 0 1 0
R:R:G95 W:W:?1 5.69 0 No Yes 5 0 1 0
R:R:F96 R:R:I130 7.54 3 Yes No 6 6 2 1
R:R:A99 W:W:?1 5.24 2 No Yes 6 0 1 0
R:R:A102 W:W:?1 8.39 0 No Yes 6 0 1 0
R:R:L106 R:R:Y105 3.52 2 No Yes 7 7 1 2
R:R:L106 R:R:Y114 9.38 2 No Yes 7 6 1 1
R:R:L106 W:W:?1 3.69 2 No Yes 7 0 1 0
R:R:G107 R:R:Y114 4.35 0 No Yes 8 6 2 1
R:R:R118 R:R:Y114 10.29 2 No Yes 8 6 2 1
R:R:Y114 W:W:?1 7.02 2 Yes Yes 6 0 1 0
R:R:R119 R:R:Y122 8.23 0 No No 5 3 2 1
R:R:S123 W:W:?1 4 2 Yes Yes 8 0 1 0
R:R:V126 W:W:?1 8.93 2 No Yes 5 0 1 0
R:R:I130 W:W:?1 6.65 0 No Yes 6 0 1 0
R:R:L133 W:W:?1 3.69 0 No Yes 5 0 1 0
R:R:L193 W:W:?1 6.45 0 No Yes 4 0 1 0
R:R:P194 W:W:?1 14.21 0 No Yes 9 0 1 0
R:R:I197 W:W:?1 4.75 0 No Yes 6 0 1 0
R:R:A103 W:W:?1 3.15 0 No Yes 8 0 1 0
R:R:Y122 W:W:?1 3.12 0 No Yes 3 0 1 0
R:R:A129 W:W:?1 2.1 0 No Yes 3 0 1 0
R:R:A98 R:R:G95 1.95 0 No No 7 5 2 1
R:R:F117 W:W:?1 1.62 0 No Yes 4 0 1 0

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

ShowSimilarityNetwork TypeNameLigandDescription
57.14Single5TZYMK8666; PubChem 1270535975TZY-FFA1 (GPR40)-MK8666; PubChem 127053597
40.00Single5O9HNDT95137275O9H-C5a1-NDT9513727
39.13Single7SHEPI; PE7SHE-GPR158-PI; PE
38.46Single7SHEPI; PE7SHE-GPR158-PI; PE
38.46Single7SHFPI; PE7SHF-GPR158-PI; PE-B5; RGS7
33.33Single6N48PubChem 1384542566N48-β2-BI167107-PubChem 138454256
33.33Single7WU3K6G7WU3-ADGRF1-K6G-Gs/&β;1/&γ;2
32.00Single7SHFPI; PE7SHF-GPR158-PI; PE-B5; RGS7
31.82Single6C1RAvacopan; Na6C1R-C5a1-PMX53-Avacopan; Na
31.82Consensusc5a1_off_ortoalloOther Ligand6C1Q-C5a1-PMX53-NDT9513727 6C1R-C5a1-PMX53-Avacopan; Na
30.00Single7CKZMevidalen7CKZ-D1-Dopamine-Mevidalen-Gs/&β;1/&γ;2
29.17Single7WU4K6G7WU4-ADGRF1-K6G-Gi1/&β;1/&γ;2
28.57Single6C1QNDT95137276C1Q-C5a1-PMX53-NDT9513727
28.57Single8G2YLPC8G2Y-ADGRF1-LPC-chim(Gs-CtGq)/&β;1/&γ;2
28.57Consensusd1_on_alloOther Ligand7LJC-D1-PubChem 86764103-Mevidalen-Gs/&β;1/&γ;2 7CKZ-D1-Dopamine-Mevidalen-Gs/&β;1/&γ;2
27.78Single5XSZGlyceryl Mono-oleate5XSZ-LPA6-Glyceryl Mono-oleate
25.00Single6OBAGTPL110746OBA-β2-(S)-Alprenolol-GTPL11074
25.00Consensusbeta2_off_alloOther Ligand6OBA-β2-(S)-Alprenolol-GTPL11074
20.00Single7WU5K6G7WU5-ADGRF1-K6G-Gi1/&β;1/&γ;2
18.18Single7LJDMevidalen7LJD-D1-Dopamine-Mevidalen-Gs/&β;1/&γ;1
18.18Single7X2FMevidalen7X2F-D1-Dopamine-Mevidalen-Gs/&β;1/&γ;2
17.39Single7LJCMevidalen7LJC-D1-PubChem 86764103-Mevidalen-Gs/&β;1/&γ;2
16.67Single8IYXYL-3658IYX-GPR34-YL-365
16.00Consensusadgrf1_on_alloOther Ligand7WU5-ADGRF1-K6G-Gi1/&β;1/&γ;2 8G2Y-ADGRF1-LPC-chim(Gs-CtGq)/&β;1/&γ;2
8.70Single8WG8Peptide8WG8-Glucagon-Peptide-chim(NtGi1-Gs)/&β;1/&γ;2
8.00Single8U8FPML8U8F-GPR3-PML-Gs/&β;1/&γ;2
6.25Single8SAI1-oleoyl-2-hydroxy-sn-glycero-3-phospho-L-serine8SAI-GPR34-1-oleoyl-2-hydroxy-sn-glycero-3-phospho-L-serine-Gi1/&β;1/&γ;2
4.00Single8X2K5YM8X2K-GPR3-5YM-chim(NtGi1-Gs)/&β;1/&γ;2
3.70Single8K4NVF08K4N-GPR34-VF0-Gi1/&β;1/&γ;2
3.45Single8IZ4Lysophosphatidylserine8IZ4-GPR34-Lysophosphatidylserine-Gi1/&β;1/&γ;2
3.33Single8JLPRalmitaront8JLP-TA1-Ralmitaront-Gs/&β;1/&γ;2
3.33Single8XBIS3E-LysoPS8XBI-GPR34-S3E-LysoPS
3.33Consensuss1p2_onOrthosteric Ligand7T6B-S1P2-S1P-chim(NtGi1L-G13)/&β;1/&γ;2
3.23Single7T6BS1P7T6B-S1P2-S1P-chim(NtGi1L-G13)/&β;1/&γ;2
3.23Single7XZ5Lysophosphatidylcholine7XZ5-GPR119-Lysophosphatidylcholine-Gs/&β;1/&γ;2
3.23Single8WRBLysophosphatidylserine8WRB-GPR34-Lysophosphatidylserine-Gi1/&β;1/&γ;2
2.94Single6RZ8ONO-20803656RZ8-CysLT2-ONO-2080365
2.94Single8IZBLysophosphatidylserine8IZB-GPR174-Lysophosphatidylserine-Gs/&β;1/&γ;2
2.94Single8XBHS3E-LysoPS8XBH-GPR34-S3E-LysoPS-Gi1/&β;1/&γ;2
2.56Single7XV3Lysophosphatidylserine7XV3-GPR174-Lysophosphatidylserine-chim(NtGi1-Gs)/&β;1/&γ;2

PDB Summary
PDB 5KW2
Class A
SubFamily Lipid
Type Free fatty acid
SubType FFA1 (GPR40)
Species Homo sapiens
Ligand -
Other Ligand(s) PubChem 133053953
Protein Partners -
PDB Resolution 2.76
Date 2018-05-02
D.O.I. 10.1038/s41467-017-01240-w
Net Summary
Imin 3.5
Number of Linked Nodes 227
Number of Links 248
Number of Hubs 31
Number of Links mediated by Hubs 126
Number of Communities 3
Number of Nodes involved in Communities 37
Number of Links involved in Communities 52
Path Summary
Number Of Nodes in MetaPath 79
Number Of Links MetaPath 78
Number of Shortest Paths 28314
Length Of Smallest Path 3
Average Path Length 11.5829
Length of Longest Path 26
Minimum Path Strength 1.415
Average Path Strength 5.70408
Maximum Path Strength 13.245
Minimum Path Correlation 0.7
Average Path Correlation 0.906027
Maximum Path Correlation 0.99
Minimum % Of Corr. Nodes 4.7619
Average % Of Corr. Nodes 47.5399
Maximum % Of Corr. Nodes 100
Minimum Path Hubs % 0
Average Path Hubs % 48.6193
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 .
Code6XQ
PDB ResiduesW:W:?1
Environment DetailsOpen EMBL-EBI Page
Code6XQ
Name(3~{S})-3-cyclopropyl-3-[2-[1-[2-[2,2-dimethylpropyl-(6-methylpyridin-2-yl)carbamoyl]-5-methoxy-phenyl]piperidin-4-yl]-1-benzofuran-6-yl]propanoic acid
Synonyms
Identifier(3~{S})-3-cyclopropyl-3-[2-[1-[2-[2,2-dimethylpropyl-(6-methylpyridin-2-yl)carbamoyl]-5-methoxy-phenyl]piperidin-4-yl]-1-benzofuran-6-yl]propanoic acid
FormulaC38 H45 N3 O5
Molecular Weight623.781
SMILESCc1cccc(n1)N(CC(C)(C)C)C(=O)c2ccc(cc2N3CCC(CC3)c4cc5ccc(cc5o4)[C@@H](CC(=O)O)C6CC6)OC
PubChem133053953
Formal Charge0
Total Atoms91
Total Chiral Atoms1
Total Bonds96
Total Aromatic Bonds22

PDBsumOpen PDBsum Page
ChainR
ProteinReceptor
UniProtO14842
Sequence
>5KW2_Chain_R
LPPQLSFGL YVAAFALGF PLNVLAIRG ATATPSAVY ALNLGCSDL 
LLTVSLPLK AVEALASGA WPLPASLCP VFAVAHFAP LYAGGGFLA 
ALSAARYLG AAFPLGYQA FRRPCYSWG VCAAIWALV LCHLGLVFG 
LEAPVCLEA WDPASAGPA RFSLSLLLF FLPLAITAF CFVGCLRAL 
ARSLTHRRK LRAAWVAGG ALLTLLLCV GPYNASNVA SFLYPNLGG 
SWRKLGLIT GAWSVVLNP LVTGY


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
4PHUALipidFree fatty acidFFA1 (GPR40)Homo sapiens-Fasiglifam-2.332014-07-1610.1038/nature13494
5TZRALipidFree fatty acidFFA1 (GPR40)Homo sapiens-MK8666-2.22017-06-0710.1038/nsmb.3417
5TZYALipidFree fatty acidFFA1 (GPR40)Homo sapiens-MK8666; PubChem 127053597-3.222017-06-0710.1038/nsmb.3417
8EITALipidFree fatty acidFFA1 (GPR40)Homo sapiensDoconexent-chim(NtGi1L-Gs-CtGq)/&β;1/&γ;22.82023-05-2410.1073/pnas.2219569120
8EJCALipidFree fatty acidFFA1 (GPR40)Homo sapiensTAK-875-chim(NtGi1L-Gs-CtGq)/&β;1/&γ;232023-05-2410.1073/pnas.2219569120
8EJKALipidFree fatty acidFFA1 (GPR40)Homo sapiensTAK-875-chim(NtGi1L-Gs-CtGq)/&β;1/&γ;23.42023-05-2410.1073/pnas.2219569120




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 5KW2.zip



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