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Receptor
PDB id Resolution Class Description Source Keywords
5HA0 1.44 Å NON-ENZYME: OTHER CRYSTAL STRUCTURE OF THE LTBP1 LEUKOTRIENE D4 COMPLEX RHODNIUS PROLIXUS LIPOCALIN LEUKOTRIENE RHODNIUS SALIVARY TRANSPORT PROTEI
Ref.: STRUCTURE AND LIGAND-BINDING MECHANISM OF A CYSTEIN LEUKOTRIENE-BINDING PROTEIN FROM A BLOOD-FEEDING DI VECTOR. ACS CHEM.BIOL. V. 11 1934 2016
Ligand
Ligand Chain:Residue Validity Ligand Warnings Binding Data NGL Viewer Molecular Weight (Da) Formula SMILES
LTD A:201;
Valid;
none;
Kd < 1 nM
496.66 C25 H40 N2 O6 S CCCCC...
View in 3D viewer
90% Homology Family
Leader
PDB id Resolution Class Description Source Keywords
5HA0 1.44 Å NON-ENZYME: OTHER CRYSTAL STRUCTURE OF THE LTBP1 LEUKOTRIENE D4 COMPLEX RHODNIUS PROLIXUS LIPOCALIN LEUKOTRIENE RHODNIUS SALIVARY TRANSPORT PROTEI
Ref.: STRUCTURE AND LIGAND-BINDING MECHANISM OF A CYSTEIN LEUKOTRIENE-BINDING PROTEIN FROM A BLOOD-FEEDING DI VECTOR. ACS CHEM.BIOL. V. 11 1934 2016
Members (4)
No: PDB id Binding Data Representative ligand Formula Smiles
The Class containing this family consists of a total of 1443 families.
1 5HAE - EAH C20 H32 O3 CCCCCC=C/C....
2 5HA0 Kd < 1 nM LTD C25 H40 N2 O6 S CCCCC/C=CC....
3 5H9L - EAH C20 H32 O3 CCCCCC=C/C....
4 5H9N Ka = 21000000 M^-1 LTX C30 H47 N3 O9 S CCCCC/C=CC....
70% Homology Family (4)
No: PDB id Binding Data Representative ligand Formula Smiles
The Class containing this family consists of a total of 1205 families.
1 5HAE - EAH C20 H32 O3 CCCCCC=C/C....
2 5HA0 Kd < 1 nM LTD C25 H40 N2 O6 S CCCCC/C=CC....
3 5H9L - EAH C20 H32 O3 CCCCCC=C/C....
4 5H9N Ka = 21000000 M^-1 LTX C30 H47 N3 O9 S CCCCC/C=CC....
50% Homology Family (4)
No: PDB id Binding Data Representative ligand Formula Smiles
The Class containing this family consists of a total of 1039 families.
1 5HAE - EAH C20 H32 O3 CCCCCC=C/C....
2 5HA0 Kd < 1 nM LTD C25 H40 N2 O6 S CCCCC/C=CC....
3 5H9L - EAH C20 H32 O3 CCCCCC=C/C....
4 5H9N Ka = 21000000 M^-1 LTX C30 H47 N3 O9 S CCCCC/C=CC....
Polypharmacology
Similar Ligands
Ligand no: 1; Ligand: LTD; Similar ligands found: 2
No: Ligand ECFP6 Tc MDL keys Tc
1 LTD 1 1
2 LTX 0.714286 1
Similar Binding Sites (Proteins are less than 50% similar to leader)
Pocket No.: 1; Query (leader) PDB : 5HA0; Ligand: LTD; Similar sites found with APoc: 307
This union binding pocket(no: 1) in the query (biounit: 5ha0.bio1) has 27 residues
No: Leader PDB Ligand Sequence Similarity
1 3NV3 GAL NAG MAN None
2 4WVW SLT None
3 5NLD LBT None
4 4QPW XYP XYP XYP None
5 4JH6 FCN None
6 3T2W BTN None
7 5W1E PHB None
8 3BXO UPP None
9 1OF4 BMA BMA BMA BMA BMA None
10 1UW1 ADP None
11 5GP0 GPP None
12 1OGZ EQU None
13 2WA4 069 None
14 3E2M E2M None
15 3GC0 AMP None
16 4YEE 4CQ None
17 2ZFZ ARG None
18 5B09 4MX None
19 2GJ5 VD3 1.28205
20 1QIN GIP 1.28205
21 4KYK IMN 1.28205
22 3JRS A8S 1.28205
23 1KTG AMP 1.44928
24 1KGI T4A 1.5748
25 1N5S ADL 1.78571
26 1DZK PRZ 1.92308
27 1OS7 AKG 1.92308
28 2WKQ FMN 1.92308
29 3B99 U51 1.92308
30 1LRH NLA 1.92308
31 3PNA CMP 1.94805
32 5ML3 DL3 2.01342
33 4WUJ FMN 2.04082
34 5C8W PCG 2.0979
35 1QKQ MAN 2.11268
36 2YMZ LAT 2.30769
37 3WG3 A2G GAL NAG FUC 2.5641
38 4M26 AKG 2.5641
39 3SCH TB6 2.5641
40 1WW5 SGA BGC 2.5641
41 1G0C CBI 2.5641
42 5N0L ILE 2.5641
43 1Y0G 8PP 2.5641
44 4NPL AKG 2.5641
45 3W9R A8S 2.5641
46 2I6A 5I5 2.5641
47 1ZZ7 S0H 2.5641
48 5NCF 8T5 2.65487
49 3MPB FRU 2.84553
50 3EM0 CHD 2.89855
51 6GNO XDI 2.96296
52 2Z6D FMN 3.07692
53 3T50 FMN 3.125
54 2HRL SIA GAL SIA BGC NGA CEQ 3.14961
55 4CPH LH4 3.14961
56 4QDC ASD 3.20513
57 1I7E IBS 3.20513
58 4EKV BTN 3.20513
59 3HX3 RET 3.20513
60 6EWZ APC 3.20513
61 3OJI PYV 3.20513
62 2QX0 PH2 3.20513
63 5NBP BGC BGC BGC 3.20513
64 5ISY NAD 3.20513
65 5W0N UPU 3.20513
66 1IA9 ANP 3.20513
67 4PSB GA3 3.22581
68 4ZU4 4TG 3.37838
69 5W10 CMP 3.58974
70 3WUD GLC GAL 3.67647
71 1NKI PPF 3.7037
72 2NNQ T4B 3.81679
73 2I74 MAN MAN MAN MAN 3.84615
74 4L4J NAG NAG BMA MAN NAG 3.84615
75 3PUR 2HG 3.84615
76 3KDJ A8S 3.84615
77 1NX4 AKG 3.84615
78 4N14 WR7 3.84615
79 4QCK ASD 3.84615
80 2R0H CTO 3.84615
81 4COQ SAN 3.84615
82 4D06 NAR 3.84615
83 1MEX RAC 3.84615
84 1YKD CMP 3.84615
85 3PDT ADP 3.84615
86 5X3R 7Y3 3.84615
87 2GC0 PAN 3.84615
88 1WBI BTN 3.87597
89 1NWW HPN 4.02685
90 5OO5 UUA 4.03226
91 2ZHL NAG GAL GAL NAG 4.05405
92 1IS3 LAT 4.44444
93 2BS5 BGC GAL FUC 4.44444
94 2D6M LBT 4.48718
95 4P7X AKG 4.48718
96 4P7X YCP 4.48718
97 2Z5Y HRM 4.48718
98 3WW2 SF6 4.48718
99 5AVF TAU 4.48718
100 4XCB AKG 4.48718
101 2VQ5 HBA 4.48718
102 4OJ8 AKG 4.48718
103 5YIF 8VR 4.48718
104 1TT8 PHB 4.48718
105 4UCF GLA 4.48718
106 2FGL XYS XYS XYS 4.48718
107 1ULE GLA GAL NAG 4.66667
108 1SWG BTN 4.6875
109 5AIG VPR 4.8
110 5JSP DQY 5.12821
111 5TFZ 7BC 5.12821
112 5I0U DCY 5.12821
113 1U6R ADP 5.12821
114 5O5Y GLC 5.12821
115 2A1X AKG 5.12821
116 1UP7 G6P 5.12821
117 5T7I LAT NAG GAL 5.16129
118 2HFN FMN 5.22876
119 5GLT BGC GAL NAG GAL 5.76923
120 2AXR ABL 5.76923
121 1LNM DTX 5.76923
122 4QM9 CYS 5.76923
123 1U0A BGC BGC BGC BGC 5.76923
124 5NW7 9C2 5.76923
125 5LDQ NAP 5.76923
126 4W9N TCL 5.76923
127 4GCZ FMN 5.76923
128 3FW9 SLX 5.76923
129 1M15 ARG 5.76923
130 1M15 ADP 5.76923
131 5UC4 83S 5.76923
132 1GUI BGC BGC BGC BGC BGC BGC 5.80645
133 3RDO BTN 5.88235
134 4OIT MAN 6.19469
135 2YKL NLD 6.41026
136 2QL9 CIT 6.41026
137 6F6D AKG 6.41026
138 4FFG 0U8 6.41026
139 5NFB 8VT 6.41026
140 1Z03 OCH 6.41026
141 4KYS VIB 6.41026
142 2ZMF CMP 6.41026
143 1ZM1 BGC BGC BGC 6.41026
144 3B00 16A 6.41026
145 6FOF LAT 6.41026
146 1SU2 ATP 6.41026
147 4OPC FDA 6.41026
148 4ZSI 4R1 6.41026
149 4ZSI GLP 6.41026
150 4MVK ACE VAL PHE PHE ALA GLU ASP NH2 6.41026
151 3WUC GLC GAL 6.56934
152 1BHX ASP PHE GLU GLU ILE 6.66667
153 3GM5 CIT 6.91824
154 4GGZ BTN 6.95652
155 4JNJ BTN 6.95652
156 5X7Q GLC GLC GLC GLC 7.05128
157 3M3E GAL A2G NPO 7.05128
158 5X7Q GLC GLC GLC GLC GLC 7.05128
159 5X7Q ACR 7.05128
160 2DIO EOD 7.05128
161 1OIJ AKG 7.05128
162 5XEG AKG 7.05128
163 1DZT ATY 7.05128
164 1DZT TPE 7.05128
165 4QXB OGA 7.05128
166 1OJK GLC BGC 7.05128
167 1OJJ GLC GAL 7.05128
168 1Y52 BTN 7.14286
169 5LJB RTL 7.40741
170 2P7Q GG6 7.5188
171 5INJ 6C7 7.69231
172 4Y24 TD2 7.69231
173 3PGU OLA 7.69231
174 1SQI 869 7.69231
175 4D1J DGJ 7.69231
176 5JU6 BGC 7.69231
177 1ZHX HC3 7.69231
178 2Z77 HE7 7.91367
179 1A78 TDG 8.20895
180 1URX AAL GAL AAL GLA 8.33333
181 4B1L FRU 8.33333
182 1EYE PMM 8.33333
183 6FXR AKG 8.33333
184 3I8T LBT 8.33333
185 4B1M FRU FRU 8.33333
186 2XN3 ID8 8.33333
187 2VEG PMM 8.33333
188 4HN1 TYD 8.33333
189 5KJW 53C 8.33333
190 5WL1 CUY 8.33333
191 3ANY 2A3 8.33333
192 6E08 NAP 8.33333
193 6D61 4AA 8.33333
194 2BWA GLC BGC 8.33333
195 2PUZ NIG 8.33333
196 5L6G XYP 8.33333
197 3I4X DST 8.33333
198 1GZW GAL BGC 8.95522
199 3OYW TDG 8.95522
200 1OPB RET 8.95522
201 5HZ5 65X 8.95522
202 4LIT AKG 8.97436
203 3O2K DST 8.97436
204 4H69 10Y 8.97436
205 4RF7 ARG 8.97436
206 3ZGJ RMN 8.97436
207 1NOW IFG 8.97436
208 2BKL ZAH 8.97436
209 4XDA RIB 8.97436
210 1QCA FUA 8.97436
211 3RWP ABQ 8.97436
212 6HDT BTN 9.02256
213 4QYN RTL 9.02256
214 4YLZ LAT NAG GAL 9.15033
215 1OGX EQU 9.16031
216 6A63 LAT 9.42029
217 3RGA LSB 9.61539
218 2IUW AKG 9.61539
219 4D52 GIV 9.61539
220 4CNO 9PY 9.61539
221 4D4U FUC NDG GAL FUC 9.61539
222 2OVW CBI 9.61539
223 4D4U FUC GAL NAG 9.61539
224 1PX8 XYP 9.61539
225 1SLT NDG GAL 9.70149
226 4M1U A2G MBG 10
227 1KJ1 MAN 10.0917
228 1C1L GAL BGC 10.219
229 4H6B 10Y 10.2564
230 4H6B 10X 10.2564
231 1SDW IYT 10.2564
232 1I82 BGC BGC 10.2564
233 3U6W KIV 10.2564
234 2JIG PD2 10.2564
235 1S5O 152 10.2564
236 1UNB PN1 10.2564
237 1UNB AKG 10.2564
238 1IGJ DGX 10.2564
239 3VMG 9CA 10.4348
240 1W6O LAT 10.4478
241 1W6P NDG GAL 10.4478
242 3STK PLM 10.6061
243 2CDO GAL AAL GAL AAL GAL AAL 10.8974
244 5VGS 9A7 10.8974
245 4DA5 0H7 10.8974
246 3BZ3 YAM 10.8974
247 5H9Q TD2 10.9677
248 5DG2 GAL GLC 11.1111
249 1J3R 6PG 11.5385
250 6B9T 2HE 11.5385
251 4RW3 IPD 11.5385
252 4G7A AZM 11.5385
253 5Y72 DST 11.5385
254 2E27 AB0 11.7647
255 3EW2 BTN 11.8519
256 4X5S AZM 12.1795
257 3ZXE PGZ 12.782
258 1GT4 UNA 12.8205
259 3A76 SPD 12.8205
260 3H22 B53 12.8205
261 3SAO NKN 13.4615
262 3SAO DBH 13.4615
263 3AVR OGA 13.4615
264 5KOD IAC 13.4615
265 2IYG FMN 13.7097
266 1X0P FAD 13.986
267 2ET1 GLV 15.3846
268 2AGC DAO 15.3846
269 2IGA XXP 15.3846
270 1DMY AZM 15.3846
271 5LY1 PPI 15.3846
272 1I06 TZL 16.0256
273 1QY1 PRZ 16.0256
274 3WV6 GAL BGC 16.6667
275 3WV6 GAL GLC 16.6667
276 1US2 XYP XYP XYP XYP 16.6667
277 1ZB6 DIN 16.6667
278 2Q8E OGA 16.6667
279 1ZB6 GST 16.6667
280 2P5B OGA 16.6667
281 4QDF 30Q 17.3077
282 6GR0 F8W 17.3077
283 3P7N FMN 17.3077
284 5VLC HSO 17.3077
285 4INI AMP 17.6923
286 2R5V HHH 17.9487
287 1QFT HSM 17.9487
288 4AZI OAN 17.9487
289 1MH5 HAL 18.5897
290 4WOE ADP 21.1538
291 1F52 ADP 21.1538
292 2YNE YNE 21.1538
293 2YNE NHW 21.1538
294 1C5C TK4 21.7949
295 6DWI HD4 21.7949
296 1P0Z FLC 22.1374
297 3ZW2 GLA NAG GAL FUC 24.1379
298 3ZW2 NAG GAL FUC 24.1379
299 3V1S 0LH 24.359
300 5H9P TD2 27.5641
301 4IMO PWZ 28.8462
302 4Z28 BTN 30.597
303 5OD2 GLC 31.4103
304 3FW4 CAQ 31.4103
305 1ERB ETR 34.6154
306 1IIU RTL 40.3846
307 4O9S 2RY 41.6667
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