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Receptor
PDB id Resolution Class Description Source Keywords
3OV6 2.5 Å NON-ENZYME: TRANSPORT CD1C IN COMPLEX WITH MPM (MANNOSYL-BETA1-PHOSPHOMYCOKETIDE) HOMO SAPIENS MHC IMMUNOGLOBULIN DOMAIN IMMUNE SYSTEM ANTIGEN PRESENTAT
Ref.: THE 2.5 A STRUCTURE OF CD1C IN COMPLEX WITH A MYCOB LIPID REVEALS AN OPEN GROOVE IDEALLY SUITED FOR DIV ANTIGEN PRESENTATION IMMUNITY V. 33 853 2010
Ligand
Ligand Chain:Residue Validity Ligand Warnings Binding Data NGL Viewer Molecular Weight (Da) Formula SMILES
D12 A:1104;
Invalid;
none;
submit data
170.335 C12 H26 CCCCC...
MK0 A:1105;
Valid;
none;
submit data
708.986 C38 H77 O9 P CCCCC...
NAG A:1;
Part of Protein;
none;
submit data
221.208 C8 H15 N O6 CC(=O...
View in 3D viewer
90% Homology Family
Leader
PDB id Resolution Class Description Source Keywords
3OV6 2.5 Å NON-ENZYME: TRANSPORT CD1C IN COMPLEX WITH MPM (MANNOSYL-BETA1-PHOSPHOMYCOKETIDE) HOMO SAPIENS MHC IMMUNOGLOBULIN DOMAIN IMMUNE SYSTEM ANTIGEN PRESENTAT
Ref.: THE 2.5 A STRUCTURE OF CD1C IN COMPLEX WITH A MYCOB LIPID REVEALS AN OPEN GROOVE IDEALLY SUITED FOR DIV ANTIGEN PRESENTATION IMMUNITY V. 33 853 2010
Members (1)
No: PDB id Binding Data Representative ligand Formula Smiles
The Class containing this family consists of a total of 209 families.
1 3OV6 - MK0 C38 H77 O9 P CCCCCCC[C@....
70% Homology Family (1)
No: PDB id Binding Data Representative ligand Formula Smiles
The Class containing this family consists of a total of 175 families.
1 3OV6 - MK0 C38 H77 O9 P CCCCCCC[C@....
50% Homology Family (1)
No: PDB id Binding Data Representative ligand Formula Smiles
The Class containing this family consists of a total of 149 families.
1 3OV6 - MK0 C38 H77 O9 P CCCCCCC[C@....
Polypharmacology
Similar Ligands
Ligand no: 1; Ligand: MK0; Similar ligands found: 14
No: Ligand ECFP6 Tc MDL keys Tc
1 MK0 1 1
2 B7G 0.426667 0.784314
3 KGM 0.426667 0.784314
4 HSJ 0.421053 0.784314
5 BOG 0.421053 0.784314
6 BNG 0.421053 0.784314
7 M1P 0.42029 0.75
8 XGP 0.42029 0.75
9 GL1 0.42029 0.75
10 G1P 0.42029 0.75
11 Z69 0.417391 0.962264
12 BHG 0.413333 0.764706
13 JZR 0.413333 0.764706
14 GLC HEX 0.413333 0.764706
Similar Binding Sites (Proteins are less than 50% similar to leader)
Pocket No.: 1; Query (leader) PDB : 3OV6; Ligand: MK0; Similar sites found with APoc: 313
This union binding pocket(no: 1) in the query (biounit: 3ov6.bio1) has 31 residues
No: Leader PDB Ligand Sequence Similarity
1 1UO5 PIH None
2 1UO4 PIH None
3 4WG0 CHD None
4 6CS9 PIO None
5 2YFB SIN 1.16279
6 5FPN KYD 1.25945
7 5FPE 3TR 1.29199
8 4K10 NI9 1.38122
9 4DXJ 0M9 1.38122
10 1XL8 OCB 1.51134
11 6C1R EFD 1.51134
12 5YJS SAL 1.53846
13 5G48 1FL 1.60428
14 3JU6 ANP 1.62162
15 1OUK 084 1.63934
16 5LUN OGA 1.70455
17 5LUN ARG 1.70455
18 1QFT HSM 1.71429
19 4RF7 ARG 1.76322
20 4WOE ADP 1.76322
21 3NKS ACJ 1.76322
22 3BJE URA 1.76322
23 1U6R ADP 1.84211
24 2F2T 5IQ 1.86335
25 1C3X 8IG 1.8797
26 3ROE THM 1.88679
27 3K8D KDO 1.89394
28 5BVE 4VG 1.93906
29 4GLW NMN 1.96721
30 4GLW 0XT 1.96721
31 4FFG 0U8 2.01511
32 2PUL ACP 2.01511
33 3IGO ANP 2.01511
34 5OSW DIU 2.01511
35 3NB0 G6P 2.01511
36 5XIO HFG 2.01511
37 1MJT ITU 2.01729
38 3THR C2F 2.04778
39 6BMM OLB 2.04778
40 5JJU AMP 2.05882
41 4O08 PO6 2.18069
42 5KWW 6YA 2.267
43 5SXS NIZ 2.267
44 3V8S 0HD 2.267
45 1GY8 UDP 2.267
46 4ONA UW1 2.267
47 4V3I ASP LEU THR ARG PRO 2.33463
48 3KC1 2T6 2.37389
49 5OF1 SAL 2.38095
50 1E1O LYS 2.38095
51 1TMX HGX 2.38908
52 4WGF HX2 2.43902
53 3GD9 GLC BGC BGC BGC 2.45232
54 3TAY MN0 2.45399
55 2VL1 GLY GLY 2.51889
56 1OFL NGK GCD 2.51889
57 5H9Y BGC BGC BGC BGC BGC 2.51889
58 4A59 AMP 2.51889
59 4YVN EBS 2.53411
60 5A86 D7E 2.54777
61 5FQK 6NT 2.60223
62 3FS1 ALA ALA LEU ALA ALA LEU LEU ALA ALA 2.6087
63 6BU3 3GK 2.67176
64 3HAV ATP 2.67559
65 2XMY CDK 2.68456
66 6CB2 OLC 2.73038
67 5DBX ANP 2.7439
68 4MGA 27L 2.7451
69 5MRH Q9Z 2.77078
70 3LXI CAM 2.77078
71 5OLK DTP 2.77078
72 3E9I XAH 2.77078
73 5T8U LPA 2.77778
74 6ALW BMJ 2.77778
75 4O9S 2RY 2.7907
76 5EDE 5M6 2.85714
77 2HZQ STR 2.87356
78 2J5B TYE 2.87356
79 1F9V ADP 2.88184
80 1ZOY UQ1 2.91262
81 6EWZ APC 2.95359
82 6AC9 ANP 2.97297
83 5OM2 DXT 2.98103
84 5XJ7 87O 2.98507
85 3ZXE PGZ 3.00752
86 3KYQ DPV 3.01508
87 2F7A BEZ 3.01724
88 4RD0 GDP 3.02267
89 1CZA ADP 3.02267
90 1YFS ALA 3.02267
91 3PTG 932 3.0303
92 3G2Y GF4 3.04183
93 4DE3 DN8 3.04183
94 4DE2 DN3 3.04183
95 4UA7 3GK 3.04183
96 4DDY DN6 3.04183
97 4UAA 3GK 3.04183
98 4DDS 0J7 3.04183
99 5Y4R C2E 3.06122
100 5W75 SUC 3.06122
101 2OJW ADP 3.125
102 3A5Y KAA 3.18841
103 1OGZ EQU 3.2
104 5XLY C2E 3.20285
105 3KVY URA 3.23625
106 3CHT 4NB 3.27381
107 4CJN MUR 3.27456
108 4CJN QNZ 3.27456
109 6MVU K4V 3.27456
110 5DZ2 212 3.27456
111 1WPQ 13P 3.27456
112 6B04 C6J 3.27456
113 4RW3 TDA 3.31126
114 4MOB ADP 3.31325
115 5EW9 5VC 3.32103
116 4KBA 1QM 3.32326
117 6AP6 TLF 3.34572
118 4UMJ BFQ 3.37838
119 3ACL 3F1 3.37838
120 3PQB VGP 3.39321
121 3HSS MLA 3.41297
122 5GLT BGC GAL NAG GAL 3.52113
123 4G86 BNT 3.52113
124 1OFZ FUL 3.52645
125 4NS3 NAD 3.52645
126 3B99 U51 3.52645
127 4ZH7 FUC GAL NAG GAL FUC 3.52645
128 4UA3 COA 3.60825
129 1I0B PEL 3.61446
130 5I8F ML1 3.63636
131 4K79 GAL A2G 3.63636
132 2Y7P SAL 3.66972
133 6CGN DA 3.71429
134 4BTB PRO PRO PRO PRO PRO PRO PRO PRO PRO 3.76569
135 3KIF GDL 3.77358
136 5KJW 53C 3.77834
137 4IA6 EIC 3.77834
138 3GXO MQA 3.79404
139 4D4U FUC 3.80952
140 5B25 4QJ 3.84615
141 1ZB6 GST 3.90879
142 3WG3 A2G GAL NAG FUC 3.93258
143 4REI 3MV 3.97351
144 5G3R 89A 3.97727
145 5HZX 2GE 3.97727
146 1TV5 N8E 4.03023
147 5B0I BOG 4.03023
148 1Y7P RIP 4.03587
149 3BP1 GUN 4.13793
150 1ZDQ MSM 4.16667
151 4L9I 8PR 4.28212
152 1GEG GLC 4.29688
153 3KYF 5GP 5GP 4.329
154 5X80 SAL 4.375
155 4NAE 1GP 4.44444
156 1HBK COA 4.49438
157 4NS0 PIO 4.51128
158 3TDC 0EU 4.53401
159 4EIL FOL 4.53401
160 4Y24 TD2 4.54545
161 1XZ3 ICF 4.5977
162 4RKX 3S9 4.5977
163 5HWV MBN 4.61538
164 1ZY5 ANP 4.62046
165 6FA4 D1W 4.62428
166 3QSB 743 4.64481
167 4FE2 AIR 4.70588
168 5INJ 6C7 4.78589
169 2C3Q GTX 4.78589
170 3HP9 CF1 4.78589
171 1O6U PLM 4.78589
172 4G8R 96P 4.78723
173 1RTW MP5 5
174 4R38 RBF 5
175 3WW2 SF9 5.07812
176 5F6U 5VK 5.09554
177 3RWP ABQ 5.14469
178 5LVP ATP 5.14469
179 1W6P NDG GAL 5.22388
180 4F4S EFO 5.26316
181 3LF0 ATP 5.26316
182 3AI3 SOE 5.32319
183 4ITH RCM 5.44218
184 5LRT ADP 5.51181
185 4MYD 164 5.55556
186 2BHW NEX 5.60345
187 2BHW XAT 5.60345
188 1MGP PLM 5.7508
189 4WVO 3UZ 5.79345
190 2Q4X HMH 5.88235
191 1XE7 GUN 5.91133
192 1VPV PLM 6
193 3WIR BGC 6.04534
194 2F6D ACR 6.04534
195 5FUI APY 6.06061
196 4V2O CLQ 6.09756
197 3NZ1 3NY 6.13027
198 4JX1 CAH 6.19469
199 3GD8 GOL 6.27803
200 2YKL NLD 6.29723
201 4C2C ALA ALA ALA 6.29723
202 5ACM MBT 6.30631
203 1SDW IYT 6.36943
204 3IWD M2T 6.45161
205 3CF6 SP1 6.58683
206 1YRX FMN 6.61157
207 5KBF CMP 6.64452
208 4URN NOV 6.66667
209 2J3M ATP 6.80101
210 2J3M PRI 6.80101
211 1UYY BGC BGC 6.87023
212 3SAO DBH 6.875
213 1LSH PLD 6.89655
214 3QDY A2G GAL 6.99301
215 1DZK PRZ 7.00637
216 1SWG BTN 7.03125
217 1BW9 PPY 7.0529
218 3CBC DBS 7.07071
219 4RT1 C2E 7.14286
220 1XPJ TLA 7.14286
221 2QHS OCA 7.173
222 4K55 H6P 7.25806
223 5O22 C3R 7.26644
224 2PX6 DH9 7.27848
225 5DCH 1YO 7.29167
226 5ZI9 FLC 7.30769
227 3KFF XBT 7.40741
228 3KFF ZBT 7.40741
229 2AZ5 307 7.43243
230 2P7Q GG6 7.5188
231 2WG9 OCA 7.69231
232 4YEE 4CQ 7.77778
233 4ZTD ALA GLY ALA GLY ALA 7.80856
234 4YEF 4CQ 7.86517
235 4YJK URA 7.93651
236 1JGS SAL 7.97101
237 4L80 OXL 8.06045
238 2QHV OC9 8.09524
239 4EJ1 FOL 8.1761
240 2QJY UQ2 8.17844
241 3E85 BSU 8.22785
242 5U9J GER 8.28402
243 5X3R 7Y3 8.29268
244 6BMS PLM 8.31234
245 5EJL C2E 8.46774
246 3H0L ADP 8.51064
247 2XG5 EC2 8.67052
248 2XG5 EC5 8.67052
249 1KNY KAN 8.69565
250 5YSN 5AD 8.81612
251 3KCC CMP 8.84615
252 6CZI 38E 8.92857
253 3AQT RCO 8.97959
254 5UKL SIX 9.14454
255 3L1N PLM 9.27835
256 2Z3U CRR 9.82368
257 5V4R MGT 9.87654
258 1HXD BTN 9.96885
259 2Y69 CHD 10
260 3HY2 ATP 10
261 5H9P TD2 10.1266
262 4EOY ASN ASP TRP LEU LEU PRO SER TYR 10.1562
263 5J75 6GQ 10.2273
264 1NU4 MLA 10.3093
265 5LX9 OLB 10.3275
266 2HFN FMN 10.4575
267 5OCA 9QZ 10.8312
268 3KYG 5GP 5GP 11.0132
269 3BJC WAN 11.0831
270 2BS5 BGC GAL FUC 11.1111
271 43CA NPO 11.1111
272 5ODY 9SK 11.5942
273 3K56 IS3 11.6541
274 5VKM GAL SIA 11.7284
275 3UW4 MAA CHG PRO 0DQ 11.9565
276 2WOR 2AN 12
277 5L2R MLA 12.0907
278 5OCG 9R5 12.1693
279 2QL9 CIT 12.3711
280 5W7B MYR 12.5945
281 3ZW2 NAG GAL FUC 12.6437
282 3ZW2 GLA NAG GAL FUC 12.6437
283 3CYI ATP 12.7273
284 5TVF CGQ 12.9231
285 3SHZ 5CO 12.9683
286 5YRV 5AD 13
287 1G72 PQQ 13.0435
288 5CHR 4NC 13.1387
289 3CM2 X23 13.8462
290 2RDE C2E 13.9442
291 1H9G COA MYR 13.9918
292 5W97 CHD 14.2857
293 5Z84 CHD 14.2857
294 3QXV MTX 14.2857
295 5ZCO PEK 14.2857
296 5ZCO CHD 14.2857
297 1I7M CG 14.9254
298 1MID LAP 15.3846
299 4B1L FRU 15.7576
300 5NNT DPV 16.2162
301 5DYO FLU 16.9725
302 5NBW 8SK 17.2897
303 6DZN AE3 17.3709
304 1MEX RAC 17.3709
305 6FS0 E4W 18.1395
306 1C5C TK4 18.1395
307 4RYV ZEA 18.7097
308 1N8V BDD 18.75
309 5MWE TCE 20
310 4UX9 ANP 20.9068
311 4OGQ 7PH 23.5294
312 1QD0 RR6 29.6875
313 3KP6 SAL 29.8013
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