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 199 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 166 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 141 families.
1 3OV6 - MK0 C38 H77 O9 P CCCCCCC[C@....
Polypharmacology
Similar Ligands
Ligand no: 1; Ligand: MK0; Similar ligands found: 15
No: Ligand ECFP6 Tc MDL keys Tc
1 MK0 1 1
2 KGM 0.426667 0.784314
3 B7G 0.426667 0.784314
4 BOG 0.421053 0.784314
5 BNG 0.421053 0.784314
6 HSJ 0.421053 0.784314
7 G1P 0.42029 0.75
8 GL1 0.42029 0.75
9 M1P 0.42029 0.75
10 XGP 0.42029 0.75
11 Z69 0.417391 0.962264
12 JZR 0.413333 0.764706
13 GLC HEX 0.413333 0.764706
14 BHG 0.413333 0.764706
15 HEX GLC 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: 209
This union binding pocket(no: 1) in the query (biounit: 3ov6.bio1) has 31 residues
No: Leader PDB Ligand P-value (APoc) PS_Score (APoc) Sequence Similarity
1 1UO5 PIH 0.0153 0.43023 None
2 1UO4 PIH 0.03334 0.40418 None
3 2YFB SIN 0.01118 0.40554 1.16279
4 5FPN KYD 0.02192 0.41574 1.25945
5 5FPE 3TR 0.009865 0.426 1.29199
6 4K10 NI9 0.03852 0.41027 1.38122
7 1XL8 OCB 0.005318 0.41454 1.51134
8 3JU6 ANP 0.01863 0.42175 1.62162
9 5LUN OGA 0.004442 0.44497 1.70455
10 5LUN ARG 0.03855 0.4009 1.70455
11 4WOE ADP 0.00745 0.44519 1.76322
12 3NKS ACJ 0.008558 0.41871 1.76322
13 3BJE URA 0.0306 0.40998 1.76322
14 1C3X 8IG 0.04115 0.40652 1.8797
15 3K8D KDO 0.0316 0.40944 1.89394
16 4GLW NMN 0.02425 0.40867 1.96721
17 4FFG 0U8 0.008768 0.4376 2.01511
18 2PUL ACP 0.01219 0.41143 2.01511
19 3IGO ANP 0.007979 0.40686 2.01511
20 5JJU AMP 0.00409 0.44222 2.05882
21 5SXS NIZ 0.01816 0.42432 2.267
22 3V8S 0HD 0.009084 0.41749 2.267
23 1GY8 UDP 0.02155 0.41019 2.267
24 4V3I ASP LEU THR ARG PRO 0.01713 0.42242 2.33463
25 1E1O LYS 0.002142 0.41878 2.38095
26 3GD9 GLC BGC BGC BGC 0.009357 0.42447 2.45232
27 3TAY MN0 0.005576 0.40474 2.45399
28 1OFL NGK GCD 0.002528 0.46366 2.51889
29 5H9Y BGC BGC BGC BGC BGC 0.0226 0.41725 2.51889
30 4YVN EBS 0.03271 0.40967 2.53411
31 5FQK 6NT 0.02231 0.41906 2.60223
32 3FS1 ALA ALA LEU ALA ALA LEU LEU ALA ALA 0.003056 0.4691 2.6087
33 3HAV ATP 0.01434 0.43054 2.67559
34 2PFC PLM 0.006718 0.43158 2.73224
35 5MRH Q9Z 0.0111 0.42915 2.77078
36 3LXI CAM 0.02179 0.41982 2.77078
37 3E9I XAH 0.001905 0.41224 2.77078
38 3AVS OGA 0.02783 0.40834 2.77078
39 5T8U LPA 0.02128 0.40676 2.77778
40 4O9S 2RY 0.00513 0.40347 2.7907
41 5EDE 5M6 0.02469 0.41106 2.85714
42 2HZQ STR 0.01407 0.4291 2.87356
43 2J5B TYE 0.0286 0.41187 2.87356
44 1ZOY UQ1 0.04645 0.40269 2.91262
45 3KYQ DPV 0.0326 0.40871 3.01508
46 2F7A BEZ 0.04281 0.40145 3.01724
47 1CZA ADP 0.01897 0.42606 3.02267
48 1YFS ALA 0.01415 0.42343 3.02267
49 3PTG 932 0.03833 0.40103 3.0303
50 3G2Y GF4 0.01186 0.44336 3.04183
51 4UA7 3GK 0.02559 0.40639 3.04183
52 4DDY DN6 0.02595 0.40608 3.04183
53 4UAA 3GK 0.02654 0.40558 3.04183
54 4DDS 0J7 0.02891 0.40368 3.04183
55 3A5Y KAA 0.006022 0.40337 3.18841
56 1OGZ EQU 0.01444 0.41514 3.2
57 5XLY C2E 0.0003527 0.4791 3.20285
58 3KVY URA 0.02358 0.41699 3.23625
59 3CHT 4NB 0.04087 0.40287 3.27381
60 4CJN MUR 0.002215 0.45077 3.27456
61 4CJN QNZ 0.01974 0.42517 3.27456
62 5DZ2 212 0.02522 0.4163 3.27456
63 1WPQ 13P 0.03366 0.40992 3.27456
64 4RW3 TDA 0.0008539 0.46251 3.31126
65 4MOB ADP 0.01749 0.42284 3.31325
66 4KBA 1QM 0.01772 0.41857 3.32326
67 1VPD TLA 0.03564 0.40363 3.34448
68 4UMJ BFQ 0.00365 0.45964 3.37838
69 3ACL 3F1 0.002738 0.44208 3.37838
70 3PQB VGP 0.007463 0.40813 3.39321
71 5GLT BGC GAL NAG GAL 0.02254 0.41217 3.52113
72 2WZ5 MET 0.0001648 0.51843 3.52645
73 4NS3 NAD 0.009326 0.41012 3.52645
74 4ZH7 FUC GAL NAG GAL FUC 0.02797 0.40442 3.52645
75 4UA3 COA 0.01214 0.40186 3.60825
76 1I0B PEL 0.0005567 0.51923 3.61446
77 4K79 GAL A2G 0.03988 0.40398 3.63636
78 2Y7P SAL 0.03444 0.40742 3.66972
79 4BTB PRO PRO PRO PRO PRO PRO PRO PRO PRO 0.00818 0.44712 3.76569
80 5KJW 53C 0.0004673 0.50933 3.77834
81 4IA6 EIC 0.005292 0.45723 3.77834
82 5B25 4QJ 0.01138 0.41285 3.84615
83 1ZB6 GST 0.003881 0.4004 3.90879
84 3WG3 A2G GAL NAG FUC 0.002106 0.46654 3.93258
85 4REI 3MV 0.01105 0.43433 3.97351
86 5G3R 89A 0.02397 0.40867 3.97727
87 1TV5 N8E 0.004465 0.45479 4.03023
88 1Y7P RIP 0.01447 0.42923 4.03587
89 5D8U 0N8 0.01958 0.41232 4.06091
90 3BP1 GUN 0.0461 0.40223 4.13793
91 1GEG GLC 0.03415 0.41386 4.29688
92 3KYF 5GP 5GP 0.0000386 0.54892 4.329
93 5NCF 8T5 0.008581 0.43971 4.42478
94 6FIV 3TL 0.02481 0.40002 4.42478
95 4NAE 1GP 0.01921 0.42427 4.44444
96 1HBK COA 0.00009821 0.5455 4.49438
97 4NS0 PIO 0.0115 0.44032 4.51128
98 3TDC 0EU 0.0001487 0.58724 4.53401
99 4EIL FOL 0.0145 0.40456 4.53401
100 1XZ3 ICF 0.02276 0.43608 4.5977
101 4RKX 3S9 0.02867 0.41171 4.5977
102 5HWV MBN 0.01899 0.42131 4.61538
103 4FE2 AIR 0.02157 0.41017 4.70588
104 5INJ 6C7 0.003553 0.46316 4.78589
105 2C3Q GTX 0.008281 0.42709 4.78589
106 3HP9 CF1 0.02059 0.42433 4.78589
107 1O6U PLM 0.01458 0.40776 4.78589
108 4G8R 96P 0.006804 0.44778 4.78723
109 1RTW MP5 0.02476 0.41513 5
110 4R38 RBF 0.009479 0.40663 5
111 5F6U 5VK 0.005657 0.43854 5.09554
112 5LVP ATP 0.02414 0.40403 5.14469
113 1W6P NDG GAL 0.04615 0.4019 5.22388
114 4F4S EFO 0.04111 0.40327 5.26316
115 3AI3 SOE 0.03863 0.40473 5.32319
116 4ITH RCM 0.00876 0.4051 5.44218
117 5LRT ADP 0.001722 0.42571 5.51181
118 4MYD 164 0.01275 0.41052 5.55556
119 2BHW NEX 0.009287 0.44773 5.60345
120 2BHW XAT 0.03287 0.41223 5.60345
121 1MGP PLM 0.002617 0.41527 5.7508
122 4WVO 3UZ 0.004101 0.40466 5.79345
123 2Q4X HMH 0.03197 0.4088 5.88235
124 1XE7 GUN 0.01664 0.42067 5.91133
125 1VPV PLM 0.0009167 0.43045 6
126 3WIR BGC 0.03948 0.40242 6.04534
127 5FUI APY 0.00359 0.45431 6.06061
128 3NZ1 3NY 0.01811 0.41331 6.13027
129 4JX1 CAH 0.04466 0.40383 6.19469
130 2YKL NLD 0.00334 0.44656 6.29723
131 4C2C ALA ALA ALA 0.04175 0.41371 6.29723
132 1X9Q FLU 0.01475 0.42273 6.34328
133 3EYK EYK 0.008105 0.44748 6.39535
134 3IWD M2T 0.004594 0.45413 6.45161
135 5J8O 6GZ 0.005174 0.42904 6.45161
136 5KBF CMP 0.02008 0.40449 6.64452
137 4URN NOV 0.04022 0.40609 6.66667
138 2J3M ATP 0.006302 0.40828 6.80101
139 2J3M PRI 0.006872 0.40379 6.80101
140 1UYY BGC BGC 0.009177 0.43816 6.87023
141 3SAO DBH 0.006559 0.45437 6.875
142 3QDW A2G 0.00762 0.43161 6.99301
143 3QDY A2G GAL 0.01925 0.41264 6.99301
144 1DZK PRZ 0.01128 0.41304 7.00637
145 3CBC DBS 0.01324 0.43118 7.07071
146 4RT1 C2E 0.00004388 0.52664 7.14286
147 1XPJ TLA 0.018 0.43197 7.14286
148 2QHS OCA 0.01329 0.42088 7.173
149 4K55 H6P 0.0004913 0.5162 7.25806
150 2PX6 DH9 0.007582 0.4212 7.27848
151 5DCH 1YO 0.04747 0.4021 7.29167
152 3KFF XBT 0.007966 0.44143 7.40741
153 3KFF ZBT 0.007966 0.44143 7.40741
154 2AZ5 307 0.009679 0.4127 7.43243
155 2WG9 OCA 0.04279 0.40232 7.69231
156 4YEE 4CQ 0.02833 0.41303 7.77778
157 4ZTD ALA GLY ALA GLY ALA 0.0405 0.40271 7.80856
158 4YEF 4CQ 0.01042 0.43563 7.86517
159 4YJK URA 0.01856 0.42051 7.93651
160 1JGS SAL 0.003065 0.41771 7.97101
161 4L80 OXL 0.01403 0.41895 8.06045
162 2QHV OC9 0.008784 0.43442 8.09524
163 4EJ1 FOL 0.01937 0.4019 8.1761
164 2QJY UQ2 0.007519 0.44368 8.17844
165 5U9J GER 0.0278 0.41243 8.28402
166 1QKQ MAN 0.005251 0.43045 8.4507
167 3H0L ADP 0.006162 0.44241 8.51064
168 2XG5 EC2 0.007668 0.43307 8.67052
169 2XG5 EC5 0.007668 0.43307 8.67052
170 3KCC CMP 0.01312 0.40338 8.84615
171 5UKL SIX 0.003104 0.40946 9.14454
172 3L1N PLM 0.004234 0.45602 9.27835
173 5V4R MGT 0.008051 0.44349 9.87654
174 1HXD BTN 0.009419 0.41325 9.96885
175 2Y69 CHD 0.02169 0.42165 10
176 5H9P TD2 0.005662 0.44931 10.1266
177 4EOY ASN ASP TRP LEU LEU PRO SER TYR 0.02783 0.40453 10.1562
178 5J75 6GQ 0.001216 0.46332 10.2273
179 2HFN FMN 0.01072 0.41064 10.4575
180 5OCA 9QZ 0.004314 0.45703 10.8312
181 3KYG 5GP 5GP 0.0001008 0.49899 11.0132
182 3BJC WAN 0.009609 0.43709 11.0831
183 5E89 TD2 0.01418 0.40833 11.5108
184 3K56 IS3 0.02444 0.40034 11.6541
185 3UW4 MAA CHG PRO 0DQ 0.04205 0.40523 11.9565
186 2WOR 2AN 0.01087 0.43913 12
187 4DSU BZI 0.002343 0.47105 12.1693
188 2QL9 CIT 0.006946 0.44544 12.3711
189 3ZW2 NAG GAL FUC 0.01273 0.42183 12.6437
190 3ZW2 GLA NAG GAL FUC 0.01351 0.40598 12.6437
191 3CYI ATP 0.02886 0.41234 12.7273
192 5TVF CGQ 0.01394 0.41589 12.9231
193 3SHZ 5CO 0.006614 0.43623 12.9683
194 5CHR 4NC 0.0246 0.41629 13.1387
195 3CM2 X23 0.03789 0.40518 13.8462
196 2RDE C2E 0.00004407 0.53915 13.9442
197 5W97 CHD 0.01263 0.43303 14.2857
198 3QXV MTX 0.01148 0.40927 14.2857
199 1I7M CG 0.004587 0.44905 14.9254
200 4B1L FRU 0.02262 0.4057 15.7576
201 5DYO FLU 0.03286 0.40896 16.9725
202 5NBW 8SK 0.02808 0.40076 17.2897
203 1MEX RAC 0.0284 0.40408 17.3709
204 1C5C TK4 0.03867 0.40542 18.1395
205 4RYV ZEA 0.00942 0.42845 18.7097
206 5MWE TCE 0.03154 0.40948 20
207 4UX9 ANP 0.0118 0.4024 20.9068
208 1QD0 RR6 0.03058 0.40243 29.6875
209 3KP6 SAL 0.0004478 0.51766 29.8013
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