Receptor
PDB id Resolution Class Description Source Keywords
3LN9 1.8 Å NON-ENZYME: IMMUNE CRYSTAL STRUCTURE OF THE FIBRIL-SPECIFIC B10 ANTIBODY FRAGME CAMELIDAE COMPLEMENTARITY DETERMINING REGIONS CDR CAMELIDS IMMUNOGLHEAVY CHAINS FIBRIL-SPECIFIC FIBRIL RECOGNITION ALZHEIMEDISEASE AMYLOID IMMUNE SYSTEM
Ref.: AMYLOID FIBRIL RECOGNITION WITH THE CONFORMATIONAL ANTIBODY FRAGMENT DEPENDS ON ELECTROSTATIC INTERACT J.MOL.BIOL. 2010
Ligand
Ligand Chain:Residue Validity Ligand Warnings Binding Data NGL Viewer Molecular Weight (Da) Formula SMILES
FLC A:136;
Valid;
none;
submit data
189.1 C6 H5 O7 C(C(=...
GOL A:137;
A:138;
A:139;
Invalid;
Invalid;
Invalid;
none;
none;
none;
submit data
92.094 C3 H8 O3 C(C(C...
SO4 A:140;
Invalid;
none;
submit data
96.063 O4 S [O-]S...
View in 3D viewer
90% Homology Family
Leader
PDB id Resolution Class Description Source Keywords
3LN9 1.8 Å NON-ENZYME: IMMUNE CRYSTAL STRUCTURE OF THE FIBRIL-SPECIFIC B10 ANTIBODY FRAGME CAMELIDAE COMPLEMENTARITY DETERMINING REGIONS CDR CAMELIDS IMMUNOGLHEAVY CHAINS FIBRIL-SPECIFIC FIBRIL RECOGNITION ALZHEIMEDISEASE AMYLOID IMMUNE SYSTEM
Ref.: AMYLOID FIBRIL RECOGNITION WITH THE CONFORMATIONAL ANTIBODY FRAGMENT DEPENDS ON ELECTROSTATIC INTERACT J.MOL.BIOL. 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 3LN9 - FLC C6 H5 O7 C(C(=O)[O-....
70% Homology Family (1)
No: PDB id Binding Data Representative ligand Formula Smiles
The Class containing this family consists of a total of 65 families.
1 3LN9 - FLC C6 H5 O7 C(C(=O)[O-....
50% Homology Family (6)
No: PDB id Binding Data Representative ligand Formula Smiles
The Class containing this family consists of a total of 43 families.
1 1QD0 - RR6 C35 H25 N9 O22 S6 c1cc(c(cc1....
2 1I3U - RR1 C19 H16 N8 O10 S3 c1ccc(c(c1....
3 3LN9 - FLC C6 H5 O7 C(C(=O)[O-....
4 3QXT Kd = 6700 nM MTX C20 H22 N8 O5 CN(Cc1cnc2....
5 3QXV Kd = 5 nM MTX C20 H22 N8 O5 CN(Cc1cnc2....
6 2X6M - GLY TYR GLN ASP TYR GLU PRO GLU ALA n/a n/a
Polypharmacology
Similar Ligands
Ligand no: 1; Ligand: FLC; Similar ligands found: 2
No: Ligand ECFP6 Tc MDL keys Tc
1 FLC 1 1
2 FE CIT 0.95 0.875
Similar Binding Sites (Proteins are less than 50% similar to leader)
Pocket No.: 1; Query (leader) PDB : 3LN9; Ligand: FLC; Similar sites found: 237
This union binding pocket(no: 1) in the query (biounit: 3ln9.bio1) has 8 residues
No: Leader PDB Ligand P-value (APoc) PS_Score (APoc) Sequence Similarity
1 1AG9 FMN 0.00004319 0.56885 None
2 2XOD FMN 0.0003993 0.50521 None
3 2CNT COA 0.002768 0.47403 None
4 1U0J ADP 0.001122 0.47108 None
5 1U7Z PMT 0.0211 0.44793 None
6 1MOQ GLP 0.00667 0.44415 None
7 1WY7 SAH 0.003196 0.44053 None
8 1F6B GDP 0.003399 0.43711 None
9 1Z0N BCD 0.003753 0.4344 None
10 2YY7 NAD 0.02416 0.42272 None
11 2XTZ GSP 0.006646 0.41983 None
12 3HVJ 705 0.0134 0.41977 None
13 5HPY GDP 0.01363 0.40771 None
14 1M7G ADP 0.0177 0.40328 None
15 1RLJ FMN 0.0002122 0.52914 1.43885
16 5X40 ACP 0.005668 0.42956 1.43885
17 4POO SAM 0.009796 0.42402 1.43885
18 4QM7 GTP 0.01281 0.40433 1.43885
19 2FCR FMN 0.0001932 0.52037 2.15827
20 2PWY SAH 0.000313 0.5167 2.15827
21 1L1Q 9DA 0.001105 0.48001 2.15827
22 2YNC YNC 0.01344 0.45062 2.15827
23 2B4D COA 0.009191 0.43221 2.15827
24 4J36 1HR 0.03748 0.42712 2.15827
25 4HXY NDP 0.04433 0.41485 2.15827
26 3ACC 5GP 0.00007166 0.533 2.8777
27 3KAP FMN 0.0002246 0.52471 2.8777
28 4B7P 9UN 0.004394 0.48593 2.8777
29 1D6S PLP MET 0.003026 0.47212 2.8777
30 1D6S MET PLP 0.003399 0.4695 2.8777
31 2BHW LUX 0.009412 0.43218 2.8777
32 1KSH GDP 0.008034 0.4303 2.8777
33 3IUY AMP 0.01455 0.42299 2.8777
34 1U3G ADP 0.005131 0.4197 2.8777
35 1U3G THF 0.01166 0.41955 2.8777
36 1GV0 NAD 0.02569 0.41933 2.8777
37 1CF2 NAP 0.02632 0.41534 2.8777
38 2FNU PMP UD1 0.009895 0.41361 2.8777
39 3E70 GDP 0.01689 0.40802 2.8777
40 3QKT ANP 0.01182 0.4074 2.8777
41 1E7S NAP 0.04372 0.40439 2.8777
42 4CYI ATP 0.01658 0.40388 2.8777
43 3W8X FAD 0.04038 0.40339 2.8777
44 5H56 ADP 0.01895 0.40283 2.8777
45 5H56 TYD 0.01895 0.40283 2.8777
46 5FA6 NAP 0.0006165 0.54625 3.59712
47 5FA6 FMN 0.0006029 0.54625 3.59712
48 5FA6 FAD 0.0006029 0.54625 3.59712
49 3FJO FMN 0.0001524 0.52426 3.59712
50 1O5O U5P 0.0000931 0.5152 3.59712
51 4PPF FLC 0.0004449 0.44298 3.59712
52 1QM5 GLC GLC GLC PO4 SGC GLC 0.008481 0.44009 3.59712
53 2GRU NAD 0.01027 0.43918 3.59712
54 2ZPA ACO 0.01049 0.43601 3.59712
55 2V3V MGD 0.02338 0.43118 3.59712
56 2WJH FLC 0.006585 0.42066 3.59712
57 1L3I SAH 0.008727 0.4206 3.59712
58 4NCN GTP 0.009378 0.41613 3.59712
59 3MGB PAP 0.01949 0.4136 3.59712
60 2BUC 008 0.0122 0.40122 3.59712
61 4I54 1C1 0.002038 0.49249 4.24929
62 1CZR FMN 0.00003904 0.56081 4.31655
63 3OZG SSI 0.0002687 0.50969 4.31655
64 4KVX ACO 0.001385 0.4977 4.31655
65 1ZN7 ADE 0.0004781 0.49743 4.31655
66 1ZN7 PRP 0.0007695 0.49743 4.31655
67 3WIS FMN 0.01304 0.44873 4.31655
68 5IDM ANP 0.004714 0.44314 4.31655
69 2WPX ACO 0.003624 0.44214 4.31655
70 1TIQ COA 0.004393 0.43917 4.31655
71 1WWZ ACO 0.01219 0.43861 4.31655
72 3Q9T FAY 0.01176 0.43483 4.31655
73 2BNF UTP 0.0305 0.42797 4.31655
74 1U26 IHS 0.004543 0.42678 4.31655
75 1YQS BSA 0.008073 0.4249 4.31655
76 1YC5 NCA 0.0217 0.41558 4.31655
77 4BUZ NAD 0.02794 0.41432 4.31655
78 4BUZ OAD 0.03174 0.41432 4.31655
79 4BUZ OCZ 0.03174 0.41432 4.31655
80 1ZRH A3P 0.01072 0.41373 4.31655
81 3EPO MP5 0.02754 0.41167 4.31655
82 1XMV ADP 0.008606 0.40397 4.31655
83 3R96 ACO 0.01512 0.40303 4.31655
84 3R96 AMP 0.01512 0.40303 4.31655
85 3CMC NAD 0.02138 0.45563 4.79042
86 1TLL FMN 0.0001459 0.5313 5.03597
87 1N7G NDP 0.007702 0.4899 5.03597
88 1QK3 5GP 0.001243 0.48077 5.03597
89 3GJX GTP 0.003954 0.45202 5.03597
90 1SB8 UD2 0.02307 0.44678 5.03597
91 1YKJ FAD 0.02506 0.44554 5.03597
92 1ZCB GDP 0.006 0.44057 5.03597
93 4ITR GDP 0.007174 0.43112 5.03597
94 1GHE ACO 0.01076 0.42829 5.03597
95 3AB3 GDP 0.005878 0.42505 5.03597
96 3A0T ADP 0.006731 0.424 5.03597
97 3GGO ENO 0.03028 0.42332 5.03597
98 3GGO NAI 0.03028 0.42332 5.03597
99 4TTQ ATP 0.0111 0.42053 5.03597
100 4H2V AMP 0.01176 0.42009 5.03597
101 4U00 ADP 0.003876 0.41345 5.03597
102 1TAD GDP 0.02069 0.41013 5.03597
103 1XKV ATP 0.01541 0.40735 5.03597
104 2VHW NAI 0.04255 0.40732 5.03597
105 1ZSQ PIB 0.008623 0.40684 5.03597
106 2F7A BEZ 0.01458 0.40565 5.03597
107 2WA2 SAM 0.004125 0.4026 5.03597
108 4N65 AQN 0.03778 0.40176 5.03597
109 2YDW WSH 0.02114 0.41252 5.22876
110 4KFU ACP 0.001956 0.44637 5.66038
111 5W8V 9YP 0.0004865 0.50683 5.7554
112 2ZJ3 G6P 0.002734 0.47584 5.7554
113 2FXV 5GP 0.002248 0.47468 5.7554
114 4IYO 0JO 0.001291 0.4736 5.7554
115 1E5D FMN 0.00317 0.46085 5.7554
116 3ZEI AWH 0.005575 0.45718 5.7554
117 1O97 AMP 0.0276 0.45199 5.7554
118 4J1Q NDP 0.02049 0.42079 5.7554
119 4GOJ GNP 0.007462 0.42243 6.34921
120 154L NAG NAG NAG 0.0006703 0.49962 6.47482
121 1P0H ACO 0.002573 0.48769 6.47482
122 1P0H COA 0.002512 0.48769 6.47482
123 3ICT ADP 0.0008394 0.48506 6.47482
124 1P18 7HP 0.001366 0.46878 6.47482
125 5HGZ ACO 0.004394 0.4526 6.47482
126 3ICS ADP 0.002384 0.44915 6.47482
127 5GVR LMR 0.0024 0.4399 6.47482
128 1N46 PFA 0.01621 0.43565 6.47482
129 4C2X NHW 0.02329 0.43103 6.47482
130 1DJN ADP 0.01192 0.42229 6.47482
131 2VF7 ADP 0.005762 0.42102 6.47482
132 3ZJ0 ACO 0.02122 0.41976 6.47482
133 5IKB KAI 0.00777 0.41693 6.47482
134 4UUG PXG 0.02088 0.41599 6.47482
135 4E03 ADP 0.01041 0.41555 6.47482
136 1NRJ GTP 0.008627 0.40948 6.47482
137 1UJ5 5RP 0.008541 0.40793 6.47482
138 1LFD GNP 0.04584 0.4074 6.89655
139 1DL5 SAH 0.001837 0.44632 7.19424
140 2HNK SAH 0.004501 0.44342 7.19424
141 1JDC GLC GLC GLC GLC 0.006329 0.44075 7.19424
142 1RM4 NDP 0.01493 0.43829 7.19424
143 4PIV NDP 0.01464 0.43826 7.19424
144 1WPQ NAD 0.01141 0.43186 7.19424
145 2C31 ADP 0.04807 0.42435 7.19424
146 2C31 TZD 0.04888 0.42435 7.19424
147 3EC1 GDP 0.006624 0.42231 7.19424
148 1M2O GNP 0.008587 0.41126 7.19424
149 2QTV GNP 0.008947 0.41047 7.19424
150 3KJI ADP 0.02049 0.40747 7.19424
151 1DSS NAD 0.03484 0.40338 7.19424
152 1XX6 ADP 0.007528 0.40296 7.19424
153 2PEL LAT 0.01285 0.40136 7.19424
154 4K49 HFQ 0.004982 0.4439 7.35294
155 1I1N SAH 0.00005304 0.57084 7.91367
156 1I9G SAM 0.00003448 0.56022 7.91367
157 5GXU FMN 0.0001081 0.53802 7.91367
158 3ZZH ARG 0.002189 0.47359 7.91367
159 3VC3 C6P 0.003428 0.47279 7.91367
160 1MO9 FAD 0.01905 0.44703 7.91367
161 2BNE U5P 0.02003 0.42928 7.91367
162 4BAS GNP 0.008318 0.42833 7.91367
163 4KBF AMP 0.01321 0.42575 7.91367
164 1RZ0 FAD 0.0355 0.42498 7.91367
165 3EYA FAD 0.01411 0.41823 7.91367
166 2CJZ PTR 0.004567 0.40463 7.91367
167 3C3Y SAH 0.001869 0.44577 8.63309
168 2H04 4UN 0.006006 0.44264 8.63309
169 4Q9N NAI 0.0231 0.43346 8.63309
170 2ZW5 COA 0.01004 0.43293 8.63309
171 1GKZ ADP 0.0242 0.41709 8.63309
172 1AQU A3P 0.01046 0.41056 8.63309
173 1F76 FMN 0.04256 0.40792 8.63309
174 4PL7 ATP 0.005583 0.40638 8.63309
175 4KCT FDP 0.000008912 0.40557 8.63309
176 1OHE ACE ALA SEP PRO 0.003167 0.43774 9.35252
177 2D2F ADP 0.003838 0.4206 9.35252
178 1GUZ NAD 0.0272 0.4119 9.35252
179 2GZ3 NAP 0.02654 0.41123 9.35252
180 1DQN IMU 0.00008451 0.40199 9.35252
181 1NW5 SAM 0.0004077 0.50508 10.0719
182 3QVP FAD 0.002623 0.47782 10.0719
183 4JB1 NAP 0.04083 0.42354 10.0719
184 4JB1 FAD 0.04186 0.42354 10.0719
185 1YZG GDP 0.005615 0.42253 10.0719
186 1DXY NAD 0.0298 0.41023 10.0719
187 2A5F GTP 0.01605 0.40074 10.0719
188 1FZQ GDP 0.002965 0.43756 10.4972
189 1J0D 5PA 0.003496 0.45405 10.7914
190 1JNR FAD 0.02106 0.44385 10.7914
191 2ZE7 AMP 0.007302 0.43268 10.7914
192 2ZE7 DST 0.007715 0.43268 10.7914
193 1OJ4 ANP 0.01348 0.41848 10.7914
194 4M37 SAH 0.01034 0.4151 10.7914
195 4WOH 4NP 0.002835 0.40647 10.8434
196 2CWH PYC 0.005787 0.43089 11.5108
197 2CWH NDP 0.004818 0.43089 11.5108
198 2BIF ANP 0.01857 0.41528 11.5108
199 2BIF SIN 0.02546 0.41528 11.5108
200 3VMF GTP 0.01031 0.4126 11.5108
201 3WXM GTP 0.0127 0.40629 11.5108
202 4HNN LYS 0.0116 0.40509 11.5108
203 1USI PHE 0.005985 0.40181 11.5108
204 3N39 FMN 0.03188 0.40063 11.5108
205 1KO8 6PG 0.03251 0.40223 12
206 4HEQ FMN 0.0001132 0.5455 12.2302
207 2GFD RDA 0.01189 0.43989 12.2302
208 1N62 FAD 0.04492 0.41923 12.2302
209 1CJW COT 0.01492 0.41684 12.2302
210 3PC3 P1T 0.01666 0.41484 12.2302
211 2CDU ADP 0.0108 0.40782 12.2302
212 3UMV FAD 0.008807 0.45919 12.9496
213 3HQP FDP 0.003389 0.43096 12.9496
214 4PIO AVI 0.009471 0.40982 12.9496
215 4PIO SAH 0.009904 0.40982 12.9496
216 1K3T BRZ 0.02849 0.40891 12.9496
217 2B8T THM 0.02796 0.41714 13.4529
218 3F6R FMN 0.0002968 0.50668 13.6691
219 2Q8M AMP 0.004658 0.45622 13.6691
220 3TKA SAM 0.007653 0.41267 13.6691
221 4AG9 COA 0.007191 0.4423 13.9394
222 3QF7 ANP 0.01569 0.41032 14
223 5IXJ THR 0.002064 0.48107 15.1079
224 2PK3 A2R 0.01416 0.43219 15.1079
225 3WYF GTP 0.01062 0.41397 15.8273
226 2MBR FAD 0.04829 0.41252 17.2662
227 2MBR EPU 0.04726 0.41252 17.2662
228 1UJ2 ADP 0.01378 0.41077 17.2662
229 1UJ2 C5P 0.02613 0.40195 17.2662
230 1GWN GTP 0.01002 0.40485 17.9856
231 1SVK ALF GDP 0.006773 0.43381 18.705
232 1BH2 GSP 0.006432 0.43057 18.705
233 3CIF G3H 0.01774 0.42294 18.705
234 2NAD NAD 0.0317 0.41265 19.4245
235 1T57 FMN 0.00007544 0.56198 23.741
236 1HGX 5GP 0.00002837 0.41402 34.5324
237 3B20 NAD 0.01429 0.43659 35.2518
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