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:Y55 5.344527
2R:R:N66 5.6675409
3R:R:V72 3.45507
4R:R:V82 6417
5R:R:D84 9.9625418
6R:R:Y86 5.64333617
7R:R:W104 4.72526
8R:R:W112 5.82889929
9R:R:F114 5.99426
10R:R:F130 8.065407
11R:R:Y131 9.3625457
12R:R:I140 4.7425419
13R:R:R144 6.402519
14R:R:Y145 6.718568
15R:R:V162 4.07417
16R:R:W170 4.695409
17R:R:F183 7.3925405
18R:R:R184 5.442545
19R:R:Y197 5.3025403
20R:R:E198 6.02445
21R:R:R212 4.9675405
22R:R:P215 4.82455
23R:R:P223 6.962509
24R:R:Y231 7.25333619
25R:R:I253 4.52417
26R:R:F260 9.35409
27R:R:Y267 5.34407
28R:R:H306 8.1575409
29R:R:N310 6.455419
30R:R:Y314 5.29833619
31R:R:I317 2.8475486
32R:R:F321 4.586518
33W:W:?1 9.81751210
   

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:I304 R:R:Y55 26.53727.25NoYes077
2R:R:I304 R:R:L101 30.62454.28NoNo078
3R:R:L101 R:R:P102 31.1481.64NoNo089
4R:R:F59 R:R:P102 31.77538.67NoNo079
5R:R:F59 R:R:L63 33.09564.87NoNo075
6R:R:L95 R:R:N66 35.47062.75NoYes079
7R:R:L95 R:R:S67 34.54741.5NoNo073
8R:R:L63 R:R:S67 33.7761.5NoNo053
9R:R:N66 R:R:P311 35.250511.4YesNo099
10R:R:P311 R:R:V69 35.94863.53NoNo098
11R:R:F321 R:R:V69 19.98635.24YesNo188
12R:R:F321 R:R:V72 16.56177.87YesYes087
13R:R:V69 R:R:Y314 16.84255.05NoYes189
14R:R:Y314 W:W:?1 1004.82YesYes190
15R:R:I73 W:W:?1 16.96395.03NoYes060
16R:R:F321 W:W:?1 21.99714.3YesYes180
17R:R:I73 R:R:L88 16.015411.42NoNo065
18R:R:R144 W:W:?1 19.03289.29YesYes190
19R:R:D143 R:R:R144 12.98285.96NoYes089
20R:R:T83 W:W:?1 26.400611.27NoYes170
21R:R:I140 R:R:T83 26.43356.08YesNo197
22R:R:I140 R:R:Y86 52.51794.84YesYes197
23R:R:I253 W:W:?1 54.75124.2YesYes170
24R:R:I140 R:R:I253 25.6624.42YesYes197
25R:R:V162 R:R:Y86 13.25853.79YesYes177
26R:R:L136 R:R:Y86 25.78093.52NoYes087
27R:R:I165 R:R:Y86 11.17437.25NoYes057
28R:R:L88 R:R:M70 13.94142.83NoNo056
29R:R:L92 R:R:M70 13.01062.83NoNo066
30R:R:L92 R:R:W170 10.46116.83NoYes069
31R:R:H306 R:R:N310 95.20957.65YesYes099
32R:R:W104 R:R:Y55 13.81491.93YesYes267
33R:R:K126 R:R:W104 53.33996.96NoYes066
34R:R:K126 R:R:R184 54.19486.19NoYes065
35R:R:R184 R:R:V180 53.86853.92YesNo454
36R:R:E127 R:R:V180 61.15547.13NoNo044
37R:R:E127 R:R:Y131 75.170110.1NoYes047
38R:R:F130 R:R:Y131 90.16875.16YesYes077
39R:R:F130 R:R:I134 48.7725.02YesNo078
40R:R:F260 R:R:I134 51.50877.54YesNo098
41R:R:F260 R:R:H306 98.722711.31YesYes099
42R:R:F130 R:R:W264 47.439116.04YesNo078
43R:R:F260 R:R:W264 47.717310.02YesNo098
44R:R:V122 R:R:W104 25.47236.13NoYes256
45R:R:S107 R:R:W104 25.59374.94NoYes056
46R:R:S107 R:R:W112 24.41514.94NoYes059
47R:R:V122 R:R:W112 24.51374.9NoYes259
48R:R:E300 R:R:K108 16.634.05NoNo055
49R:R:T186 R:R:W112 22.3742.43NoYes049
50R:R:T186 R:R:Y188 14.96074.99NoNo041
51R:R:P194 R:R:Y188 12.47955.56NoNo051
52R:R:S132 R:R:S173 22.80144.89NoNo067
53R:R:S173 R:R:V128 19.96866.46NoNo075
54R:R:L124 R:R:V128 14.28792.98NoNo065
55R:R:G133 R:R:L136 19.3063.42NoNo098
56R:R:G133 R:R:S132 17.41153.71NoNo096
57R:R:E198 R:R:R212 17.52546.98YesYes055
58R:R:F130 R:R:N268 10.37516.04YesNo078
59R:R:P215 R:R:R212 16.10395.76YesYes055
60R:R:I253 R:R:Y231 25.41163.63YesYes179
61R:R:C230 R:R:S141 19.08843.44NoNo079
62R:R:S141 R:R:Y231 20.165913.99NoYes099
63R:R:C230 R:R:Y145 15.82578.06NoYes078
64R:R:L155 R:R:V162 14.2554.47NoYes047
65R:R:L155 R:R:L161 19.10872.77NoNo044
66R:R:E198 R:R:F183 18.78497YesYes055
67R:R:M209 R:R:R212 13.07382.48NoYes035
68R:R:I213 R:R:M209 10.87084.37NoNo043
69R:R:V252 W:W:?1 10.70143.5NoYes070
70R:R:E300 R:R:Y267 15.49434.49NoYes057
71R:R:K108 R:R:Y55 17.51785.97NoYes257
72R:R:P215 R:R:Y131 15.29456.95YesYes557
73R:R:N310 R:R:Y314 93.6928.14YesYes199
74R:R:E127 R:R:R212 13.29644.65NoYes045
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:V69 R:R:Y314 5.05 1 No Yes 8 9 2 1
R:R:F321 R:R:V69 5.24 1 Yes No 8 8 1 2
R:R:F321 R:R:V72 7.87 1 Yes Yes 8 7 1 2
R:R:I73 R:R:L88 11.42 0 No No 6 5 1 2
R:R:I73 W:W:?1 5.03 0 No Yes 6 0 1 0
R:R:D84 R:R:R80 3.57 1 Yes No 8 7 1 2
R:R:D84 R:R:S81 8.83 1 Yes No 8 7 1 1
R:R:S81 W:W:?1 10.59 1 No Yes 7 0 1 0
R:R:I140 R:R:T83 6.08 1 Yes No 9 7 2 1
R:R:R144 R:R:T83 5.17 1 Yes No 9 7 1 1
R:R:T83 W:W:?1 11.27 1 No Yes 7 0 1 0
R:R:D84 R:R:K320 8.3 1 Yes No 8 6 1 1
R:R:D84 W:W:?1 19.15 1 Yes Yes 8 0 1 0
R:R:L87 R:R:Y314 5.86 1 No Yes 7 9 1 1
R:R:L87 W:W:?1 4.07 1 No Yes 7 0 1 0
R:R:I140 R:R:Y231 3.63 1 Yes Yes 9 9 2 2
R:R:I140 R:R:I253 4.42 1 Yes Yes 9 7 2 1
R:R:D143 R:R:R144 5.96 0 No Yes 8 9 2 1
R:R:A147 R:R:R144 4.15 0 No Yes 8 9 2 1
R:R:M250 R:R:R144 7.44 0 No Yes 5 9 2 1
R:R:R144 W:W:?1 9.29 1 Yes Yes 9 0 1 0
R:R:I253 R:R:Y231 3.63 1 Yes Yes 7 9 1 2
R:R:E249 R:R:K320 6.75 1 No No 7 6 1 1
R:R:E249 W:W:?1 10.91 1 No Yes 7 0 1 0
R:R:I253 R:R:M250 5.83 1 Yes No 7 5 1 2
R:R:G318 R:R:V252 3.68 0 No No 7 7 2 1
R:R:V252 W:W:?1 3.5 0 No Yes 7 0 1 0
R:R:I253 W:W:?1 4.2 1 Yes Yes 7 0 1 0
R:R:N310 R:R:V256 5.91 1 Yes No 9 8 2 2
R:R:V256 R:R:Y314 3.79 1 No Yes 8 9 2 1
R:R:N310 R:R:Y314 8.14 1 Yes Yes 9 9 2 1
R:R:F321 R:R:Y314 4.13 1 Yes Yes 8 9 1 1
R:R:Y314 W:W:?1 4.82 1 Yes Yes 9 0 1 0
R:R:K320 W:W:?1 30.68 1 No Yes 6 0 1 0
R:R:F321 W:W:?1 4.3 1 Yes Yes 8 0 1 0
R:R:I317 R:R:V252 3.07 8 Yes No 6 7 2 1
R:R:A315 R:R:F321 1.39 0 No Yes 7 8 2 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

ShowSimilarityNetwork TypeNameLigandDescription
73.33Single5LWEVercirnon5LWE-CCR9-Vercirnon
73.33Consensusccr9_off_alloOther Ligand5LWE-CCR9-Vercirnon
53.85Single5T1APubChem 68764898; PubChem 120931705T1A-CCR2-PubChem 68764898; PubChem 12093170
53.33Single6QZHHY-133073; Na6QZH-CCR7-HY-133073; Na
53.33Consensusccr7_off_alloOther Ligand6QZH-CCR7-HY-133073; Na
37.50Single5X7DPubChem 1293189635X7D-β2-(S)-Carazolol-PubChem 129318963
30.77Consensusccr2_off_alloOther Ligand5T1A-CCR2-PubChem 68764898; PubChem 12093170 6GPX-CCR2-MK0812
27.78Single8JPFPubChem 1186104278JPF-NTS1-Neurotensin-PubChem 118610427
26.32Single8FN0PubChem 1186104278FN0-NTS1-Neurotensin/neuromedin N-PubChem 118610427-chim(NtGi1-Go)/&β;1/&γ;2
26.32Single8JPCPubChem 118610427; GDP; Mg8JPC-NTS1-Neurotensin 8-13-PubChem 118610427; GDP; Mg-Gq; GRK2
21.43Single3VG9Antibody3VG9-A2A-ZM241385-Antibody
20.00Single3VGAAntibody3VGA-A2A-ZM241385-Antibody
19.05Single8JPBPubChem 118610427; GDP; Mg8JPB-NTS1-Neurotensin 8-13-PubChem 118610427; GDP; Mg-Gq; GRK2
16.67Consensusnts1_on_alloOther Ligand8JPB-NTS1-Neurotensin 8-13-PubChem 118610427; GDP; Mg-Gq; GRK2
15.00Single8JR9PCO3718JR9-PTH1-PCO371-chim(NtGi1-Gs)/&β;1/&γ;2
14.29Single5XF1NNC06405XF1-Glucagon-NNC0640
14.29Single8GW8KHF8GW8-PTH1-KHF-Gs/&β;1/&γ;2
13.04Single8TB7PubChem 1685102188TB7-GPR61-PubChem 168510218
10.53Single6KK1PubChem 681786306KK1-GLP-1-PubChem 68178630
9.52Single5XEZNNC06405XEZ-Glucagon-NNC0640
9.09Consensusffa3_on_alloOther Ligand8J20-FFA3-Valeric acid-AR420626-Gi1/&β;1/&γ;2
8.70Single6LN2PubChem 681786306LN2-GLP-1-PubChem 68178630
8.70Single8J20AR4206268J20-FFA3-Valeric acid-AR420626-Gi1/&β;1/&γ;2
6.67Single4PXFOctyl Beta-D-Glucopyranoside4PXF-Rhodopsin-Octyl Beta-D-Glucopyranoside-Arrestin1_Finger_loop
5.88Single7EB2rac-BHFF7EB2-GABAB1, GABAB2-Baclofen-rac-BHFF-Gi1/&β;1/&γ;2
5.88Consensusclass-c_onOther Ligandgabab_on mglu_on
5.88Consensusgabab_onOther Ligand7EB2-GABAB1, GABAB2-Baclofen-rac-BHFF-Gi1/&β;1/&γ;2
5.88Consensusgi_class-cOther Ligandgi_mglu gi_gaba
5.56Consensusgi_gabaOther Ligand7EB2-GABAB1, GABAB2-Baclofen-rac-BHFF-Gi1/&β;1/&γ;2
5.26Single5VEXNNC06405VEX-GLP-1-NNC0640
5.26Single6KK7PubChem 681786306KK7-GLP-1-PubChem 68178630
5.26Single7CA3rac-BHFF7CA3-GABAB1, GABAB2-rac-BHFF
5.00Single4K5YCP-3763954K5Y-CRF1-CP-376395
5.00Single6KJVPubChem 681786306KJV-GLP-1-PubChem 68178630
5.00Single7C7QPubChem 70238487C7Q-GABAB1, GABAB2-Baclofen-PubChem 7023848
4.76Single5VEWPF-063722225VEW-GLP-1-PF-06372222
4.76Single7EJX(1R;2R)-2-PCCA7EJX-GPR88-(1R;2R)-2-PCCA-Gi1/&β;1/&γ;2
4.55Single4Z9GCP-3763954Z9G-CRF1-CP-376395
4.55Single8GTIBMK-C2058GTI-CRF1-BMK-C205
4.35Single8GTGBMK-I1528GTG-CRF1-BMK-I152
4.00Single8GTMBMK-C2038GTM-CRF1-BMK-C203
3.85Single8JD3HZR; PEF8JD3-mGlu2; mGlu3-Glutamate-HZR; PEF-Gi1/&β;1/&γ;2

PDB Summary
PDB 6LFL
Class A
SubFamily Protein
Type Chemokine
SubType CXCR2
Species Homo sapiens
Ligand -
Other Ligand(s) PubChem 153466996
Protein Partners -
PDB Resolution 3.2
Date 2020-09-02
D.O.I. 10.1038/s41586-020-2492-5
Net Summary
Imin 3.42
Number of Linked Nodes 254
Number of Links 280
Number of Hubs 33
Number of Links mediated by Hubs 133
Number of Communities 8
Number of Nodes involved in Communities 48
Number of Links involved in Communities 61
Path Summary
Number Of Nodes in MetaPath 75
Number Of Links MetaPath 74
Number of Shortest Paths 74801
Length Of Smallest Path 3
Average Path Length 16.0536
Length of Longest Path 32
Minimum Path Strength 1.335
Average Path Strength 6.15003
Maximum Path Strength 20.975
Minimum Path Correlation 0.7
Average Path Correlation 0.925418
Maximum Path Correlation 0.99
Minimum % Of Corr. Nodes 3.84615
Average % Of Corr. Nodes 42.3114
Maximum % Of Corr. Nodes 100
Minimum Path Hubs % 0
Average Path Hubs % 47.7832
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 .
CodeEBX
PDB ResiduesW:W:?1
Environment DetailsOpen EMBL-EBI Page
CodeEBX
Name4-[[3,4-bis(oxidanylidene)-2-[[(1~{R})-1-(4-propan-2-ylfuran-2-yl)propyl]amino]cyclobuten-1-yl]amino]-~{N},~{N}-dimethyl-3-oxidanyl-pyridine-2-carboxamide
Synonyms
Identifier4-[[3,4-bis(oxidanylidene)-2-[[(1~{R})-1-(4-propan-2-ylfuran-2-yl)propyl]amino]cyclobuten-1-yl]amino]-~{N},~{N}-dimethyl-3-oxidanyl-pyridine-2-carboxamide
FormulaC22 H26 N4 O5
Molecular Weight426.466
SMILESCC[C@H](c1cc(co1)C(C)C)NC2=C(C(=O)C2=O)Nc3ccnc(c3O)C(=O)N(C)C
PubChem153466996
Formal Charge0
Total Atoms57
Total Chiral Atoms1
Total Bonds59
Total Aromatic Bonds11

PDBsumOpen PDBsum Page
ChainR
ProteinReceptor
UniProtP25025
Sequence
>6LFL_Chain_R
INKYFVVII YALVFLLSL LGNSLVMLV ILYSRVGRS VTDVYLLNL 
ALADLLFAL TLPIWAASK VNGWIFGTF LCKVVSLLK EVNFYSGIW 
LLACISVDR YLAIVHATR TLTQKRYLV KFICLSIWG LSLLLALPV 
LLFRRTVYS SNVSPACYE DANWRMLLR ILPQSFGFI VPLLIMLFC 
YGFTLRTLF KAGQKHREM RVIFAVVLI FLLCWLPYN LVLLADTLM 
RTRNHIDRA LDATEILAI LHSCLNPLI YAFIGQKFR HGLLKILAI 
HGLIS


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
6LFLAProteinChemokineCXCR2Homo sapiens-PubChem 153466996-3.22020-09-0210.1038/s41586-020-2492-5
6LFMAProteinChemokineCXCR2Homo sapiensInterleukin-8-Gi1/&β;1/&γ;23.52020-09-0210.1038/s41586-020-2492-5
6LFOAProteinChemokineCXCR2Homo sapiensInterleukin-8-Gi1/&β;1/&γ;23.42020-09-0210.1038/s41586-020-2492-5




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 6LFL.zip



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