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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(=O)...
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 286 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 209 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 174 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: 5
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 PA1 PO4 FTT FTT GCS FTT PO4 KDO MYR 0.624242 0.985075
5 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 with APoc: 278
This union binding pocket(no: 1) in the query (biounit: 3vq2.bio1) has 42 residues
No: Leader PDB Ligand Sequence Similarity
1 5EZU MYR None
2 1N5S ADL None
3 6E2B PT7 None
4 5BU3 4W9 1.38889
5 1O6U PLM 2.08333
6 1DMY AZM 2.41935
7 1QY1 PRZ 2.87356
8 4RFR RHN 2.95567
9 4FFG 0U8 3.04878
10 3PG7 PTY 3.125
11 5GP0 GPP 3.3557
12 4OPC PGT 3.47222
13 4OPC FDA 3.47222
14 4HIA FMN 3.47222
15 1YKD CMP 3.47222
16 5FPX GLY SER SER HIS HIS HIS HIS HIS 3.53982
17 1Y7P RIP 3.58744
18 1NKI PPF 3.7037
19 1SWG BTN 3.90625
20 5O9W AKG 4.08719
21 3VV1 GAL FUC 4.16667
22 4QCK ASD 4.16667
23 3ZGJ RMN 4.16667
24 3FW9 SLX 4.16667
25 3X01 AMP 4.16667
26 4LIT AKG 4.29043
27 2BYC FMN 4.37956
28 6GNO XDI 4.44444
29 2A1L PCW 4.44444
30 5LDQ NAP 4.51977
31 5A07 GDP 4.60829
32 2Z6D FMN 4.61538
33 5L8N 6RQ 4.6875
34 6GN6 MAL 4.69799
35 3WV6 GAL BGC 4.86111
36 5INJ 6C7 4.86111
37 2ZHL NAG GAL GAL NAG 4.86111
38 5OCG 9R5 4.86111
39 6GG9 FMN 4.86111
40 6FA4 D1W 4.86111
41 4LED XXR 4.86111
42 1F52 ADP 4.86111
43 2JIG PD2 4.91071
44 3H7J PPY 4.93827
45 4R38 RBF 5
46 4J8T DOG 5.10949
47 3JU6 ANP 5.13514
48 3ZXE PGZ 5.26316
49 3A23 GAL 5.28053
50 5BVB DOG 5.30303
51 4IAW LIZ 5.31915
52 3T1A 5MA 5.3286
53 5YBN AKG 5.41401
54 1KGI T4A 5.51181
55 2Z3U CRR 5.55556
56 1UMZ BGC BGC XYS BGC XYS GAL 5.55556
57 2OVD DAO 5.55556
58 4ZSI GLP 5.55556
59 5X7Q GLC GLC GLC GLC 5.55556
60 5TZO 7V7 5.55556
61 4D4U FUC GAL NDG FUC 5.55556
62 5X7Q GLC GLC GLC GLC GLC 5.55556
63 2JLD ALA GLY GLY ALA ALA ALA ALA ALA 5.55556
64 4ZSI 4R1 5.55556
65 2ZL7 FUC GAL NGA 5.55556
66 4D52 GIV 5.55556
67 3LHS SF8 5.55556
68 5L6G XYP 5.55556
69 5LUN OGA 5.55556
70 5X7Q ACR 5.55556
71 4D52 GXL 5.55556
72 1SR9 KIV 5.55556
73 2WT2 GAL NAG GAL NAG GAL NAG 5.55556
74 1NYW DAU 5.55556
75 4EE7 PIS 5.59211
76 3RGA LSB 5.65371
77 5J75 6GQ 5.68182
78 2YG2 FLC 5.81395
79 2YG2 S1P 5.81395
80 4ZU4 4TG 6.08108
81 4H6B 10X 6.15385
82 4H6B 10Y 6.15385
83 1ZM1 BGC BGC BGC 6.22407
84 3SAO NKN 6.25
85 4G7A AZM 6.25
86 3SAO DBH 6.25
87 3PQB VGP 6.25
88 5NKN LOC 6.25
89 4MJ0 SIA SIA GAL 6.25
90 4MJ0 BGC SIA SIA GAL 6.25
91 1MJT ITU 6.25
92 4QDC ASD 6.25
93 1URX AAL GAL AAL GLA 6.25
94 1QFT HSM 6.28571
95 3NNF AKG 6.39535
96 1TW4 CHD 6.4
97 5H9Q TD2 6.45161
98 2Z77 HE7 6.47482
99 3WUC GLC GAL 6.56934
100 2XOM GAL GAL GAL 6.57895
101 1ULE GLA GAL NAG 6.66667
102 3FW4 CAQ 6.74157
103 2P7Q GG6 6.76692
104 4U0W 16G 6.91057
105 4WVW SLT 6.94444
106 3FW3 ETS 6.94444
107 2QX0 PH2 6.94444
108 1J3R 6PG 6.94444
109 4U5I BXP 6.94444
110 5Z46 GST 6.94444
111 3ACL 3F1 6.94444
112 2GC0 PAN 6.94444
113 4MNS 2AX 6.94444
114 3VMG 9CA 6.95652
115 5C3R AKG 6.99708
116 5C3R HMU 6.99708
117 6CAY ERG 7.10059
118 2WA4 069 7.16332
119 5D48 L96 7.23684
120 6FBZ MGP 7.40741
121 1OJJ GLC GAL 7.46269
122 1OJK GLC BGC 7.46269
123 3QVI K95 7.5388
124 5BVS EIC 7.57576
125 5V3D FCN 7.58621
126 4RLT FSE 7.59494
127 1OGX EQU 7.63359
128 5GLT BGC GAL NAG GAL 7.63889
129 6D61 4AA 7.63889
130 4GN8 ASO 7.63889
131 2GWH PCI 7.63889
132 5DZT AMP 7.63889
133 2GQR ADP 7.63889
134 1ZHX HC3 7.63889
135 5HZX 2GE 7.63889
136 2CM4 RCL 7.63889
137 2FCU AKG 7.66773
138 3P7N FMN 7.75194
139 4Y24 TD2 7.79221
140 5TPV TYD 7.84314
141 5KD6 6C7 7.8759
142 5NLD LBT 7.91367
143 3AMN CBK 7.92453
144 3AMN CBI 7.92453
145 1CBK ROI 8.125
146 2D6M LBT 8.1761
147 4NS0 PIO 8.27068
148 3N0Y APC 8.33333
149 1MDC PLM 8.33333
150 4RYV ZEA 8.33333
151 2VQ5 HBA 8.45771
152 4COQ SAN 8.50202
153 3T50 FMN 8.59375
154 2HZQ STR 8.62069
155 1SU2 ATP 8.80503
156 5LHT TIH 8.84354
157 1T27 PCW 8.85609
158 1IS3 LAT 8.88889
159 3Q60 ATP 8.89488
160 3OYW TDG 8.95522
161 2AGC MYR 9.02778
162 2AGC DAO 9.02778
163 1ELI PYC 9.02778
164 5ML3 DL3 9.02778
165 3DX5 DHB 9.02778
166 5XEG AKG 9.09091
167 5MN0 A8S 9.09091
168 2GJ5 VD3 9.25926
169 5TPU TYD 9.35252
170 3WDX BGC BGC GLC 9.39597
171 5AIG VPR 9.6
172 4K55 H6P 9.67742
173 4L4J NAG NAG BMA MAN NAG 9.72222
174 3MPB FRU 9.72222
175 2JEN GLC GLC BGC XYS BGC XYS 9.72222
176 4ZXA H8N 9.72222
177 4YLZ LAT NAG GAL 9.80392
178 1N9L FMN 10.0917
179 2VFT SOR 10.1896
180 4X5S AZM 10.3448
181 1F9V ADP 10.3746
182 4P7X YCP 10.4167
183 4P7X AKG 10.4167
184 4WN5 MVC 10.4348
185 5KWY C3S 10.5263
186 4XCB AKG 10.728
187 4XCB HY0 10.728
188 4OCT AKG 10.8108
189 4MLO PAM 10.8696
190 4QDF 30Q 10.9137
191 1WW5 SGA BGC 11.1111
192 3WG3 A2G GAL NAG FUC 11.1111
193 5A04 BGC 11.1111
194 1VRP ADP 11.1111
195 6FXR AKG 11.1111
196 2BS5 BGC GAL FUC 11.1111
197 5EO8 TFU 11.1111
198 5HZ9 5M8 11.1111
199 5TBM 79A 11.3043
200 2QL9 CIT 11.3402
201 4MA6 28E 11.465
202 1ODM ASV 11.4804
203 6GR0 F8W 11.4943
204 2HKA C3S 11.5385
205 2G30 ALA ALA PHE 11.8056
206 5H9P TD2 11.8056
207 5NFB 8VT 11.8056
208 1Q23 FUA 11.8056
209 1LSH PLD 11.9122
210 5T7I LAT NAG GAL 12.2581
211 6BYM HC3 12.3153
212 5ODY 9SK 12.3188
213 4NPL AKG 12.5
214 3HX3 RET 12.5
215 1UNB AKG 12.5
216 4OJ8 AKG 12.5
217 5DBX ANP 12.5
218 1VYF OLA 12.5926
219 1SLT NDG GAL 12.6866
220 5HV0 AKG 12.9032
221 3BXO UPP 12.9707
222 6BU0 IHP 12.9771
223 3M3E GAL A2G NPO 13.1944
224 5CJF 520 13.1944
225 6EWZ APC 13.1944
226 4QM9 CYS 13.1944
227 1SDW IYT 13.1944
228 1LN1 DLP 13.1944
229 6FOF LAT 13.2653
230 1OFZ FUL 13.7821
231 2DIO EOD 13.8298
232 5SVV FMN 13.8686
233 2FUE M1P 13.8889
234 5FU3 BGC BGC BGC 14.1509
235 5JSP DQY 14.4279
236 4JH6 FCN 14.4928
237 3CF6 SP1 14.5833
238 5Z54 0HZ 14.5833
239 4YGF AZM 14.5833
240 4AZW ATP 14.5833
241 4N7U 2JA 14.7368
242 1NWW HPN 14.7651
243 3ZW2 NAG GAL FUC 14.9425
244 6BHQ NAG NAG FUL BMA MAN MAN NAG GAL 15.2778
245 4BG4 ADP 15.2778
246 1QIN GIP 15.3005
247 4M1U A2G MBG 15.7143
248 4WOE ADP 15.9722
249 2BOS GLA GAL GLC 16.1765
250 2BOS GLA GAL 16.1765
251 3I8T LBT 16.4634
252 3NV3 GAL NAG MAN 16.6667
253 3E2M E2M 16.6667
254 1GP6 SIN 16.6667
255 1GP6 DH2 16.6667
256 1GP6 QUE 16.6667
257 3B00 16A 16.6667
258 1U0A BGC BGC BGC BGC 16.8224
259 2Z6C FMN 17.0543
260 3VPD ANP 18.0556
261 3HRD NIO 18.0556
262 4WUJ FMN 19.0476
263 3WUD GLC GAL 19.1176
264 1A78 TDG 20.1493
265 1C1L GAL BGC 21.1679
266 2OVW CBI 21.5278
267 1OPB RET 22.3881
268 1X0P FAD 23.0769
269 5EFW FMN 23.3333
270 3QRC SCR 24.3056
271 4H2X G5A 25
272 5LJB RTL 25.9259
273 4EES FMN 26.9565
274 5DG2 GAL GLC 27.4074
275 2YMZ LAT 28.4615
276 5KEW 6SB 29.7872
277 5B09 4MX 32.6923
278 3MTX PGT 33.3333
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