Receptor
PDB id Resolution Class Description Source Keywords
3VQ2 2.48 Å NON-ENZYME: SIGNAL_HORMONE CRYSTAL STRUCTURE OF MOUSE TLR4/MD-2/LPS COMPLEX MUS MUSCULUS LEUCINE RICH REPEAT MD-2 RELATED LIPID RECOGNITION RECEPTORIMMUNITY LIPID BINDING GLYCOSYLATION SECRETED IMMUNE SY
Ref.: STRUCTURAL BASIS OF SPECIES-SPECIFIC ENDOTOXIN SENS INNATE IMMUNE RECEPTOR TLR4/MD-2 PROC.NATL.ACAD.SCI.USA V. 109 7421 2012
Ligand
Ligand Chain:Residue Validity Ligand Warnings Binding Data NGL Viewer Molecular Weight (Da) Formula SMILES
LP4 LP5 MYR DAO D:300;
Valid;
none;
submit data
1768.32 n/a [P+](...
LP4 MYR LP5 DAO C:300;
Valid;
none;
submit data n/a n/a n/a n/a
NAG A:800;
A:801;
A:804;
Part of Protein;
Part of Protein;
Invalid;
none;
none;
none;
submit data
221.208 C8 H15 N O6 CC(=O...
NAG NAG A:802;
B:701;
Part of Protein;
Part of Protein;
none;
none;
submit data
408.404 n/a O=C(N...
View in 3D viewer
90% Homology Family
Leader
PDB id Resolution Class Description Source Keywords
3VQ2 2.48 Å NON-ENZYME: SIGNAL_HORMONE CRYSTAL STRUCTURE OF MOUSE TLR4/MD-2/LPS COMPLEX MUS MUSCULUS LEUCINE RICH REPEAT MD-2 RELATED LIPID RECOGNITION RECEPTORIMMUNITY LIPID BINDING GLYCOSYLATION SECRETED IMMUNE SY
Ref.: STRUCTURAL BASIS OF SPECIES-SPECIFIC ENDOTOXIN SENS INNATE IMMUNE RECEPTOR TLR4/MD-2 PROC.NATL.ACAD.SCI.USA V. 109 7421 2012
Members (1)
No: PDB id Binding Data Representative ligand Formula Smiles
The Class containing this family consists of a total of 263 families.
1 3VQ2 - LP4 MYR LP5 DAO n/a n/a
70% Homology Family (1)
No: PDB id Binding Data Representative ligand Formula Smiles
The Class containing this family consists of a total of 196 families.
1 3VQ2 - LP4 MYR LP5 DAO n/a n/a
50% Homology Family (1)
No: PDB id Binding Data Representative ligand Formula Smiles
The Class containing this family consists of a total of 171 families.
1 3VQ2 - LP4 MYR LP5 DAO n/a n/a
Polypharmacology
Similar Ligands
Ligand no: 1; Ligand: LP4 LP5 MYR DAO; Similar ligands found: 4
No: Ligand ECFP6 Tc MDL keys Tc
1 LP4 LP5 MYR DAO 1 1
2 LP5 LP4 0.76 1
3 LP4 LP5 0.76 1
4 LP5 0.51145 0.911765
Ligand no: 2; Ligand: LP4 MYR LP5 DAO; Similar ligands found: 0
No: Ligand ECFP6 Tc MDL keys Tc
Similar Binding Sites (Proteins are less than 50% similar to leader)
Pocket No.: 1; Query (leader) PDB : 3VQ2; Ligand: LP4 LP5 MYR DAO; Similar sites found: 131
This union binding pocket(no: 1) in the query (biounit: 3vq2.bio1) has 42 residues
No: Leader PDB Ligand P-value (APoc) PS_Score (APoc) Sequence Similarity
1 1N5S ADL 0.007029 0.43493 None
2 1O6U PLM 0.02711 0.40928 2.08333
3 4FFG 0U8 0.01529 0.42496 3.04878
4 3PG7 PTY 0.005989 0.40311 3.125
5 4OPC FDA 0.006645 0.40994 3.47222
6 1YKD CMP 0.02885 0.40173 3.47222
7 5FPX GLY SER SER HIS HIS HIS HIS HIS 0.0009612 0.46845 3.53982
8 4QCK ASD 0.003782 0.45221 4.16667
9 3ZGJ RMN 0.03239 0.41588 4.16667
10 3FW9 SLX 0.01338 0.41468 4.16667
11 3X01 AMP 0.0455 0.41282 4.16667
12 4BQY FNT 0.0206 0.40296 4.36508
13 2BYC FMN 0.03337 0.40471 4.37956
14 5C5T AKG 0.02543 0.42157 4.38596
15 2A1L PCW 0.0001689 0.42982 4.44444
16 5A07 GDP 0.03935 0.40767 4.60829
17 1SN0 T44 0.01489 0.42608 4.61538
18 2Z6D FMN 0.008563 0.42382 4.61538
19 2ZHL NAG GAL GAL NAG 0.00557 0.44795 4.86111
20 4DSU BZI 0.0318 0.42481 4.86111
21 1F52 ADP 0.04395 0.40177 4.86111
22 3H7J PPY 0.01401 0.42373 4.93827
23 4R38 RBF 0.01496 0.40941 5
24 4J8T DOG 0.02004 0.41256 5.10949
25 3A23 GAL 0.02687 0.42437 5.28053
26 4IAW LIZ 0.004463 0.45738 5.31915
27 2OVD DAO 0.008912 0.45406 5.55556
28 4D4U FUC GAL NDG FUC 0.01229 0.43435 5.55556
29 2ZL7 FUC GAL NGA 0.02392 0.42936 5.55556
30 3LHS SF8 0.03518 0.41786 5.55556
31 4EE7 PIS 0.03016 0.41388 5.59211
32 3RGA LSB 0.0007521 0.4824 5.65371
33 2YG2 FLC 0.0007977 0.4499 5.81395
34 2YG2 S1P 0.002701 0.43688 5.81395
35 4H6B 10X 0.0303 0.41016 6.15385
36 4H6B 10Y 0.04847 0.40634 6.15385
37 3SAO NKN 0.008769 0.44203 6.25
38 3SAO DBH 0.02203 0.42665 6.25
39 3PQB VGP 0.008803 0.41701 6.25
40 4MJ0 SIA SIA GAL 0.03215 0.4157 6.25
41 4MJ0 BGC SIA SIA GAL 0.03361 0.4145 6.25
42 1QFT HSM 0.02527 0.40759 6.28571
43 1ULE GLA GAL NAG 0.01012 0.44464 6.66667
44 2NLR BGC BGC G2F SHG 0.03914 0.40119 6.83761
45 4U0W 16G 0.01721 0.41259 6.91057
46 4WVW SLT 0.001626 0.49512 6.94444
47 3FW3 ETS 0.007092 0.44686 6.94444
48 4HN1 TYD 0.01869 0.42477 6.94444
49 4U5I BXP 0.03585 0.42006 6.94444
50 4XBT 3ZQ 0.01731 0.41247 6.94444
51 3ACL 3F1 0.0343 0.40101 6.94444
52 2GC0 PAN 0.03029 0.40071 6.94444
53 4MNS 2AX 0.002297 0.40004 6.94444
54 5C3R HMU 0.01024 0.42344 6.99708
55 5C3R AKG 0.01024 0.42344 6.99708
56 2WA4 069 0.00422 0.45411 7.16332
57 1OJJ GLC GAL 0.02299 0.42395 7.46269
58 3QVI K95 0.02008 0.41939 7.5388
59 1OGX EQU 0.02683 0.4095 7.63359
60 2GWH PCI 0.02865 0.41498 7.63889
61 4ME6 ADP 0.04572 0.41283 7.63889
62 1ZHX HC3 0.007991 0.40776 7.63889
63 5HZX 2GE 0.04382 0.40518 7.63889
64 2CM4 RCL 0.01653 0.40457 7.63889
65 2FCU AKG 0.01171 0.44503 7.66773
66 3P7N FMN 0.008601 0.42373 7.75194
67 4NS0 PIO 0.01973 0.42968 8.27068
68 3N0Y APC 0.007001 0.41562 8.33333
69 4COQ SAN 0.03129 0.42064 8.50202
70 3T50 FMN 0.01446 0.41309 8.59375
71 2HZQ STR 0.009475 0.45152 8.62069
72 1SU2 ATP 0.0254 0.40441 8.80503
73 1T27 PCW 0.0008522 0.40965 8.85609
74 3Q60 ATP 0.02098 0.41158 8.89488
75 3OYW TDG 0.0102 0.44759 8.95522
76 2AGC MYR 0.002086 0.46993 9.02778
77 2AGC DAO 0.01685 0.43122 9.02778
78 5MN0 A8S 0.01386 0.42046 9.09091
79 3WDX BGC BGC GLC 0.01085 0.41587 9.39597
80 5AIG VPR 0.03048 0.41356 9.6
81 4K55 H6P 0.001778 0.48642 9.67742
82 4L4J NAG NAG BMA MAN NAG 0.001863 0.48963 9.72222
83 4ZXA H8N 0.04917 0.40599 9.72222
84 1N9L FMN 0.005221 0.43394 10.0917
85 2VFT SOR 0.003204 0.4649 10.1896
86 4X5S AZM 0.01406 0.44019 10.3448
87 4OCT AKG 0.004913 0.4552 10.8108
88 4QDF 30Q 0.005174 0.44145 10.9137
89 3WG3 A2G GAL NAG FUC 0.02375 0.42318 11.1111
90 4XT2 43L 0.01464 0.40423 11.1111
91 5HZ9 5M8 0.02855 0.40195 11.1111
92 2QL9 CIT 0.007679 0.452 11.3402
93 4MA6 28E 0.0354 0.41771 11.465
94 1ODM ASV 0.005819 0.4163 11.4804
95 2HKA C3S 0.008382 0.42426 11.5385
96 2G30 ALA ALA PHE 0.002353 0.49486 11.8056
97 5E89 TD2 0.008052 0.43203 12.2302
98 5T7I LAT NAG GAL 0.001048 0.50505 12.2581
99 1UNB AKG 0.004052 0.41482 12.5
100 4OJ8 AKG 0.0143 0.41031 12.5
101 1VYF OLA 0.009666 0.4095 12.5926
102 1SLT NDG GAL 0.01065 0.43143 12.6866
103 1EPB REA 0.0001424 0.5177 12.8049
104 3BXO UPP 0.02191 0.41065 12.9707
105 5CJF 520 0.006783 0.44357 13.1944
106 4QM9 CYS 0.03384 0.4197 13.1944
107 1SDW IYT 0.02272 0.41662 13.1944
108 1LN1 DLP 0.004329 0.404 13.1944
109 3GM5 CIT 0.04972 0.4068 13.2075
110 5SVV FMN 0.005166 0.43074 13.8686
111 5FU3 BGC BGC BGC 0.03343 0.42036 14.1509
112 4JH6 FCN 0.009775 0.44394 14.4928
113 4AZT LY2 0.04022 0.40716 14.5833
114 4AZW ATP 0.02333 0.40044 14.5833
115 4BG4 ADP 0.02705 0.40309 15.2778
116 1QIN GIP 0.002778 0.41378 15.3005
117 2BOS GLA GAL GLC 0.01519 0.41707 16.1765
118 2BOS GLA GAL 0.01494 0.4141 16.1765
119 3E2M E2M 0.001875 0.43738 16.6667
120 3B00 16A 0.04626 0.40392 16.6667
121 2Z6C FMN 0.002887 0.44603 17.0543
122 1A78 TDG 0.003504 0.46531 20.1493
123 1C1L GAL BGC 0.009675 0.44666 21.1679
124 2OVW CBI 0.01414 0.43979 21.5278
125 1OPB RET 0.01081 0.41905 22.3881
126 5EFW FMN 0.01611 0.41087 23.3333
127 3QRC SCR 0.002685 0.46398 24.3056
128 4H2X G5A 0.0261 0.40094 25
129 4EES FMN 0.005493 0.42952 26.9565
130 5DG2 GAL GLC 0.001187 0.46986 27.4074
131 2YMZ LAT 0.0007738 0.4913 28.4615
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