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.

   

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.

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:S67 R:R:Y9 5.09 1 No No 3 5 2 2
R:R:Y271 R:R:Y9 15.89 1 Yes No 3 5 1 2
R:R:S67 R:R:Y271 3.82 1 No Yes 3 3 2 1
R:R:L85 R:R:Y176 3.52 1 Yes Yes 4 6 2 2
R:R:L85 R:R:M177 4.24 1 Yes Yes 4 6 2 1
R:R:L85 R:R:N181 6.87 1 Yes Yes 4 5 2 2
R:R:T88 R:R:W246 14.55 0 No Yes 6 8 2 1
R:R:F168 R:R:V172 13.11 1 Yes No 4 3 1 2
R:R:F168 R:R:M177 6.22 1 Yes Yes 4 6 1 1
L:L:?2 R:R:F168 35.43 1 Yes Yes 0 4 0 1
R:R:E169 R:R:M174 5.41 1 No Yes 3 4 1 2
R:R:E169 R:R:H264 11.08 1 No Yes 3 2 1 1
L:L:?2 R:R:E169 12.85 1 Yes No 0 3 0 1
R:R:M177 R:R:V172 3.04 1 Yes No 6 3 1 2
R:R:M174 R:R:N253 7.01 0 Yes No 4 5 2 1
R:R:M174 R:R:T256 3.01 0 Yes No 4 4 2 2
R:R:M177 R:R:Y176 3.59 1 Yes Yes 6 6 1 2
R:R:N181 R:R:Y176 5.81 1 Yes Yes 5 6 2 2
R:R:M177 R:R:N181 4.21 1 Yes Yes 6 5 1 2
R:R:M177 R:R:N253 4.21 1 Yes No 6 5 1 1
L:L:?2 R:R:M177 6.4 1 Yes Yes 0 6 0 1
R:R:H250 R:R:N181 5.1 0 Yes Yes 6 5 1 2
R:R:F182 R:R:H250 23.76 0 Yes Yes 5 6 2 1
R:R:H250 R:R:V186 8.3 0 Yes No 6 7 1 2
R:R:F242 R:R:W246 12.03 1 Yes Yes 9 8 2 1
R:R:F242 R:R:N280 7.25 1 Yes Yes 9 9 2 2
R:R:S277 R:R:W246 12.36 0 No Yes 7 8 2 1
R:R:N280 R:R:W246 4.52 1 Yes Yes 9 8 2 1
L:L:?2 R:R:W246 2.95 1 Yes Yes 0 8 0 1
R:R:L249 R:R:S277 3 0 No No 5 7 1 2
L:L:?2 R:R:L249 19.69 1 Yes No 0 5 0 1
L:L:?2 R:R:H250 7.48 1 Yes Yes 0 6 0 1
L:L:?2 R:R:N253 12.43 1 Yes No 0 5 0 1
R:R:H264 R:R:T256 9.58 1 Yes No 2 4 1 2
R:R:H264 R:R:M270 3.94 1 Yes No 2 4 1 1
L:L:?2 R:R:H264 3.32 1 Yes Yes 0 2 0 1
R:R:L267 R:R:Y271 4.69 1 No Yes 3 3 1 1
L:L:?2 R:R:L267 3.58 1 Yes No 0 3 0 1
L:L:?2 R:R:M270 8.23 1 Yes No 0 4 0 1
L:L:?2 R:R:Y271 3.03 1 Yes Yes 0 3 0 1
R:R:H278 R:R:I274 3.98 1 Yes No 6 4 2 1
L:L:?2 R:R:I274 3.69 1 Yes No 0 4 0 1
R:R:H278 R:R:S277 4.18 1 Yes No 6 7 2 2
R:R:I252 R:R:M270 2.92 0 No No 5 4 2 1
R:R:A81 R:R:F168 2.77 0 No Yes 5 4 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

PDB Summary
PDB 6WQA
Class A
SubFamily Nucleotide
Type Adenosine
SubType A2A
Species Homo sapiens
Ligand ZM241385
Other Ligand(s) Na
Protein Partners -
PDB Resolution 2
Date 2020-11-18
D.O.I. 10.1107/S2052252520012701
Net Summary
Imin 2.94
Number of Linked Nodes 276
Number of Links 328
Number of Hubs 45
Number of Links mediated by Hubs 168
Number of Communities 11
Number of Nodes involved in Communities 75
Number of Links involved in Communities 103
Path Summary
Number Of Nodes in MetaPath 76
Number Of Links MetaPath 75
Number of Shortest Paths 104009
Length Of Smallest Path 3
Average Path Length 17.7547
Length of Longest Path 34
Minimum Path Strength 1.17
Average Path Strength 5.92832
Maximum Path Strength 22.2233
Minimum Path Correlation 0.7
Average Path Correlation 0.928409
Maximum Path Correlation 1
Minimum % Of Corr. Nodes 3.84615
Average % Of Corr. Nodes 40.7995
Maximum % Of Corr. Nodes 100
Minimum Path Hubs % 0
Average Path Hubs % 43.1602
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 .
CodeZMA
PDB ResiduesL:L:?2
Environment DetailsOpen EMBL-EBI Page
CodeZMA
Name4-{2-[(7-amino-2-furan-2-yl[1,2,4]triazolo[1,5-a][1,3,5]triazin-5-yl)amino]ethyl}phenol
Synonyms4-{2-[(7-amino-2-furan-2-yl[1,2,4]triazolo[1,5-a][1,3,5]triazin-5-yl)amino]ethyl}phenol
Identifier4-[2-[[7-amino-2-(furan-2-yl)-[1,2,4]triazolo[1,5-e][1,3,5]triazin-5-yl]amino]ethyl]phenol
FormulaC16 H15 N7 O2
Molecular Weight337.336
SMILESc1cc(oc1)c2nc3nc(nc(n3n2)N)NCCc4ccc(cc4)O
PubChem176407
Formal Charge0
Total Atoms40
Total Chiral Atoms0
Total Bonds43
Total Aromatic Bonds22

CodeNA
PDB ResiduesI:I:?1
Environment DetailsOpen EMBL-EBI Page
CodeNA
NameSODIUM ION
Synonyms
Identifiersodium(+1) cation
FormulaNa
Molecular Weight22.99
SMILES[Na+]
PubChem
Formal Charge1
Total Atoms1
Total Chiral Atoms0
Total Bonds0
Total Aromatic Bonds0

PDBsumOpen PDBsum Page
ChainR
ProteinReceptor
UniProtP29274
Sequence
>6WQA_Chain_R
PPIMGSSVY ITVELAIAV LAILGNVLV CWAVWLNSN LQNVTNYFV 
VSLAAADIA VGVLAIPFA ITISTGFCA ACHGCLFIA CFVLVLTQS 
SIFSLLAIA IDRYIAIRI PLRYNGLVT GTRAKGIIA ICWVLSFAI 
GLTPMLGWN NCGQPKEGK NHSQGCGEG QVACLFEDV VPMNYMVYF 
NFFACVLVP LLLMLGVYL RIFLAARRQ LERARSTLQ KEVHAAKSL 
AIIVGLFAL CWLPLHIIN CFTFFCPDC SHAPLWLMY LAIVLSHTN 
SVVNPFIYA YRIREFRQT FRKIIRSHV L


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
2YDOANucleotideAdenosineA2AHomo sapiensAdenosine--32011-05-1810.1038/nature10136
2YDVANucleotideAdenosineA2AHomo sapiensNECA--2.62011-05-1810.1038/nature10136
3EMLANucleotideAdenosineA2AHomo sapiensZM241385--2.62008-10-1410.1126/science.1164772
3PWHANucleotideAdenosineA2AHomo sapiensZM241385--3.32011-09-0710.1016/j.str.2011.06.014
3QAKANucleotideAdenosineA2AHomo sapiensUK-432097--2.712011-03-0910.1126/science.1202793
3REYANucleotideAdenosineA2AHomo sapiensPubChem 5697--3.312011-09-0710.1016/j.str.2011.06.014
3RFMANucleotideAdenosineA2AHomo sapiensCaffeine--3.62011-09-0710.1016/j.str.2011.06.014
3UZAANucleotideAdenosineA2AHomo sapiensGTPL9236--3.272012-03-2110.1021/jm201376w
3UZCANucleotideAdenosineA2AHomo sapiensPubChem 135566609--3.342012-03-2110.1021/jm201376w
3VG9ANucleotideAdenosineA2AHomo sapiensZM241385Antibody-2.72012-02-0110.1038/nature10750
3VGAANucleotideAdenosineA2AHomo sapiensZM241385Antibody-3.12012-02-0110.1038/nature10750
4EIYANucleotideAdenosineA2AHomo sapiensZM241385Na-1.82012-07-2510.1126/science.1219218
4UG2ANucleotideAdenosineA2AHomo sapiensCGS21680--2.62015-04-0810.1124/mol.114.097360
4UHRANucleotideAdenosineA2AHomo sapiensCGS21680--2.62015-04-0810.1124/mol.114.097360
5G53ANucleotideAdenosineA2AHomo sapiensNECA-Gs3.42016-08-0310.1038/nature18966
5IU4ANucleotideAdenosineA2AHomo sapiensZM241385Na-1.722016-06-2910.1021/acs.jmedchem.6b00653
5IU7ANucleotideAdenosineA2AHomo sapiensQ27456346Na-1.92016-06-2910.1021/acs.jmedchem.6b00653
5IU8ANucleotideAdenosineA2AHomo sapiensQ27456347Na-22016-06-2910.1021/acs.jmedchem.6b00653
5IUAANucleotideAdenosineA2AHomo sapiensQ27456348Na-2.22016-06-2910.1021/acs.jmedchem.6b00653
5IUBANucleotideAdenosineA2AHomo sapiensQ27456344Na-2.12016-06-2910.1021/acs.jmedchem.6b00653
5JTBANucleotideAdenosineA2AHomo sapiensZM241385--2.82017-05-3110.1126/sciadv.1602952
5K2AANucleotideAdenosineA2AHomo sapiensZM241385Na-2.52016-09-2110.1126/sciadv.1600292
5K2BANucleotideAdenosineA2AHomo sapiensZM241385Na-2.52016-09-2110.1126/sciadv.1600292
5K2CANucleotideAdenosineA2AHomo sapiensZM241385Na-1.92016-09-2110.1126/sciadv.1600292
5K2DANucleotideAdenosineA2AHomo sapiensZM241385--1.92016-09-2110.1126/sciadv.1600292
5MZJANucleotideAdenosineA2AHomo sapiensTheophyllineNa-22017-07-2610.1016/j.str.2017.06.012
5MZPANucleotideAdenosineA2AHomo sapiensCaffeineNa-2.12017-07-2610.1016/j.str.2017.06.012
5N2RANucleotideAdenosineA2AHomo sapiensPubChem 92460631; psb36Na-2.82017-07-2610.1016/j.str.2017.06.012
5NLXANucleotideAdenosineA2AHomo sapiensZM241385Na-2.142017-09-2710.1038/s41467-017-00630-4
5NM2ANucleotideAdenosineA2AHomo sapiensZM241385Na-1.952017-09-2710.1038/s41467-017-00630-4
5NM4ANucleotideAdenosineA2AHomo sapiensZM241385Na-1.72017-09-2710.1038/s41467-017-00630-4
5OLGANucleotideAdenosineA2AHomo sapiensZM241385Na-1.872018-01-1710.1038/s41598-017-18570-w
5OLHANucleotideAdenosineA2AHomo sapiensVipadenantNa-2.62018-01-1710.1038/s41598-017-18570-w
5OLOANucleotideAdenosineA2AHomo sapiensTozadenantNa-3.12018-01-1710.1038/s41598-017-18570-w
5OLVANucleotideAdenosineA2AHomo sapiensLUAA41063Na-22018-01-1710.1038/s41598-017-18570-w
5OLZANucleotideAdenosineA2AHomo sapiensPubChem 135566609Na-1.92018-01-1710.1038/s41598-017-18570-w
5OM1ANucleotideAdenosineA2AHomo sapiensPubChem 135566609Na-2.12018-01-1710.1038/s41598-017-18570-w
5OM4ANucleotideAdenosineA2AHomo sapiensPubChem 135566609Na-22018-01-1710.1038/s41598-017-18570-w
5UIGANucleotideAdenosineA2AHomo sapiensJ3.651.884G--3.52017-02-0810.1073/pnas.1621423114
5UVIANucleotideAdenosineA2AHomo sapiensZM241385--3.22017-05-2410.1107/S205225251700570X
5VRAANucleotideAdenosineA2AHomo sapiensZM241385Na-2.352017-12-1310.1038/nprot.2017.135
5WF5ANucleotideAdenosineA2AHomo sapiensUK-432097--2.62018-02-2110.1016/j.str.2017.12.013
5WF6ANucleotideAdenosineA2AHomo sapiensUK-432097--2.92018-02-2110.1016/j.str.2017.12.013
6AQFANucleotideAdenosineA2AHomo sapiensZM241385--2.512018-01-1010.1016/j.cell.2017.12.004
6GDGANucleotideAdenosineA2AHomo sapiensNECA-Gs/&β;1/&γ;14.112018-05-1610.7554/eLife.35946
6GT3ANucleotideAdenosineA2AHomo sapiensImaradenantNa-22019-06-2610.1136/jitc-2019-000417
6JZHANucleotideAdenosineA2AHomo sapiensZM241385Na-2.252019-10-3010.1107/S1600576719012846
6LPJANucleotideAdenosineA2AHomo sapiensZM241385Na-1.82020-11-2510.1038/s41598-020-76277-x
6LPKANucleotideAdenosineA2AHomo sapiensZM241385Na-1.82020-11-2510.1038/s41598-020-76277-x
6LPLANucleotideAdenosineA2AHomo sapiensZM241385Na-22020-11-2510.1038/s41598-020-76277-x
6MH8ANucleotideAdenosineA2AHomo sapiensZM241385--4.22019-04-2410.1107/S205225251900263X
6PS7ANucleotideAdenosineA2AHomo sapiensZM241385Na-1.852019-11-1310.1107/S2052252519013137
6S0LANucleotideAdenosineA2AHomo sapiensZM241385--2.652020-07-1510.1107/S2052252520011379
6S0QANucleotideAdenosineA2AHomo sapiensZM241385--2.652020-07-1510.1107/S2052252520011379
6ZDRANucleotideAdenosineA2AHomo sapiensHMS1413f12Na-1.922020-09-1610.1002/anie.202003788
6ZDVANucleotideAdenosineA2AHomo sapiensPubChem 984073Na-2.132020-09-1610.1002/anie.202003788
7AROANucleotideAdenosineA2AHomo sapiensLUF5833Na-3.122021-04-0710.1021/acs.jmedchem.0c01856
7EZCANucleotideAdenosineA2AHomo sapiensUKA--3.82022-04-1310.1107/S2052252522001907
7PX4ANucleotideAdenosineA2AHomo sapiensPSB-2113--2.252022-03-0210.1002/anie.202115545
7PYRANucleotideAdenosineA2AHomo sapiensPSB-2115--2.62022-03-0210.1002/anie.202115545
7RM5ANucleotideAdenosineA2AHomo sapiensZM241385Na-2.792021-09-0810.1073/pnas.2106041118
7T32ANucleotideAdenosineA2AHomo sapiensZM241385--3.42022-08-1010.1038/s41467-022-32125-2
8A2OANucleotideAdenosineA2AHomo sapiensTheophyllineNa-3.452023-08-3010.1107/S1600576723006428
8A2PANucleotideAdenosineA2AHomo sapiensLUAA47070Na-3.52023-08-3010.1107/S1600576723006428
8C9WANucleotideAdenosineA2AHomo sapiensEtrumadenant--2.112023-07-1210.1038/s42004-023-00894-6
8CICANucleotideAdenosineA2AHomo sapiensEtrumadenantNa-2.12023-05-3110.1038/s42004-023-00894-6
8CU6ANucleotideAdenosineA2AHomo sapiensLJ-4517--2.82022-08-3110.1021/acs.jmedchem.2c00462
8CU7ANucleotideAdenosineA2AHomo sapiensLJ-4517Na-2.052022-08-3110.1021/acs.jmedchem.2c00462
8DU3ANucleotideAdenosineA2AHomo sapiensPubChem 105526064--2.52022-08-1010.1016/j.ejmech.2022.114620
8FYNANucleotideAdenosineA2AHomo sapiensZM241385Na-22023-03-0810.1038/s41467-023-36733-4
8GNEANucleotideAdenosineA2AHomo sapiensKW-6356Na-2.32023-03-2210.1124/molpharm.122.000633
8GNGANucleotideAdenosineA2AHomo sapiensIstradefylline--3.22023-03-2210.1124/molpharm.122.000633
8JWYANucleotideAdenosineA2AHomo sapiensPubChem 168451710--2.332023-08-1610.1007/s11427-023-2459-8
8JWZANucleotideAdenosineA2AHomo sapiensAB928Na-2.372023-08-1610.1007/s11427-023-2459-8
8PWNANucleotideAdenosineA2AHomo sapiensTheophylline--2.752023-10-2510.1038/s42004-023-01014-0




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 6WQA.zip



You can click to copy the link of this page to easily come back here later

or use this QR code to link and share this page.



You can also  read or  download a guide explaining the meaning of all files and numerical data.