Receptor
PDB id Resolution Class Description Source Keywords
1L5J 2.4 Å EC: 4.2.1.3 CRYSTAL STRUCTURE OF E. COLI ACONITASE B. ESCHERICHIA COLI MOLECULAR RECOGNITION RNA BINDING CITRIC ACID CYCLE HEAT-LIKE DOMAIN LYASE
Ref.: E. COLI ACONITASE B STRUCTURE REVEALS A HEAT-LIKE DOMAIN WITH IMPLICATIONS FOR PROTEIN-PROTEIN RECOGNITION. NAT.STRUCT.BIOL. V. 9 447 2002
Ligand
Ligand Chain:Residue Validity Ligand Warnings Binding Data NGL Viewer Molecular Weight (Da) Formula SMILES
F3S A:868;
B:869;
Part of Protein;
Part of Protein;
none;
none;
submit data
295.795 Fe3 S4 S1[Fe...
TRA A:866;
B:867;
Valid;
Valid;
none;
none;
submit data
171.084 C6 H3 O6 C(/C(...
View in 3D viewer
90% Homology Family
Leader
PDB id Resolution Class Description Source Keywords
1L5J 2.4 Å EC: 4.2.1.3 CRYSTAL STRUCTURE OF E. COLI ACONITASE B. ESCHERICHIA COLI MOLECULAR RECOGNITION RNA BINDING CITRIC ACID CYCLE HEAT-LIKE DOMAIN LYASE
Ref.: E. COLI ACONITASE B STRUCTURE REVEALS A HEAT-LIKE DOMAIN WITH IMPLICATIONS FOR PROTEIN-PROTEIN RECOGNITION. NAT.STRUCT.BIOL. V. 9 447 2002
Members (1)
No: PDB id Binding Data Representative ligand Formula Smiles
The Class containing this family consists of a total of 2 families.
1 1L5J - TRA C6 H3 O6 C(/C(=CC(=....
70% Homology Family (1)
No: PDB id Binding Data Representative ligand Formula Smiles
The Class containing this family consists of a total of 2 families.
1 1L5J - TRA C6 H3 O6 C(/C(=CC(=....
50% Homology Family (1)
No: PDB id Binding Data Representative ligand Formula Smiles
The Class containing this family consists of a total of 2 families.
1 1L5J - TRA C6 H3 O6 C(/C(=CC(=....
Polypharmacology
Similar Ligands (2D)
Ligand no: 1; Ligand: TRA; Similar ligands found: 1
No: Ligand ECFP6 Tc MDL keys Tc
1 TRA 1 1
Similar Ligands (3D)
Ligand no: 1; Ligand: TRA; Similar ligands found: 327
No: Ligand Similarity coefficient
1 ICT 0.9724
2 ATH 0.9702
3 TRC 0.9635
4 FLC 0.9628
5 NCD 0.9594
6 CIT 0.9465
7 NFQ 0.9430
8 P4B 0.9412
9 GLY ASP 0.9353
10 AN0 0.9335
11 GLY LEU 0.9331
12 NTM 0.9328
13 N8P 0.9316
14 XQB 0.9311
15 NQM 0.9307
16 GLY PRO 0.9281
17 CDV 0.9272
18 5UK 0.9271
19 1AL 0.9261
20 NTC 0.9255
21 OTD 0.9254
22 AOR 0.9241
23 CCB 0.9234
24 MIC 0.9207
25 IPM 0.9182
26 NLQ 0.9179
27 GJS 0.9175
28 5RG 0.9173
29 VPR 0.9166
30 N7P 0.9162
31 2MN 0.9151
32 NLG 0.9147
33 PHT 0.9132
34 D1X 0.9130
35 ALA PRO 0.9129
36 GTQ 0.9125
37 SIF 0.9124
38 AME 0.9118
39 EKN 0.9117
40 ORO 0.9115
41 5M0 0.9110
42 OMD 0.9108
43 6XI 0.9107
44 Q6T 0.9099
45 AKH 0.9097
46 7A3 0.9095
47 GM7 0.9086
48 2AL 0.9081
49 KLW 0.9079
50 YQA 0.9078
51 ENL 0.9073
52 6CS 0.9072
53 OEM 0.9072
54 AIN 0.9068
55 8EW 0.9062
56 DOR 0.9060
57 2PG 0.9055
58 FOT 0.9046
59 URC 0.9045
60 F12 0.9042
61 3OC 0.9041
62 54G 0.9037
63 1U1 0.9037
64 7A2 0.9037
65 9TZ 0.9036
66 BGC 0.9035
67 SC2 0.9032
68 42C 0.9032
69 XSP 0.9032
70 MLE 0.9026
71 3AL 0.9022
72 GZ8 0.9017
73 XAN 0.9015
74 CDT 0.9012
75 OXC 0.9011
76 5MK 0.9011
77 IPZ 0.9009
78 QAS 0.9002
79 GV9 0.9001
80 DHK 0.8999
81 SKM 0.8998
82 ALA LEU 0.8998
83 VNL 0.8995
84 FPK 0.8992
85 3HB 0.8992
86 PDC 0.8990
87 AUD 0.8989
88 LSA 0.8988
89 KIB 0.8980
90 II6 0.8979
91 V6F 0.8979
92 NIG 0.8976
93 ZZ8 0.8965
94 C2U 0.8965
95 GUN 0.8964
96 J01 0.8963
97 GTR 0.8962
98 K2P 0.8961
99 34D 0.8961
100 IJZ 0.8958
101 GDE 0.8958
102 8WQ 0.8954
103 3IT 0.8952
104 6R8 0.8950
105 GLC 0.8944
106 9DG 0.8942
107 8XQ 0.8938
108 2ZQ 0.8938
109 XQK 0.8936
110 GCS 0.8935
111 QM1 0.8926
112 60Q 0.8924
113 A13 0.8920
114 GAB 0.8909
115 UAN 0.8907
116 HJP 0.8906
117 PEZ 0.8906
118 X1E 0.8906
119 QAT 0.8905
120 S76 0.8904
121 8TX 0.8901
122 GAL 0.8894
123 LT8 0.8893
124 G4D 0.8891
125 329 0.8886
126 463 0.8883
127 XX3 0.8882
128 DCO 0.8881
129 DMO 0.8880
130 BDP 0.8875
131 O2A 0.8872
132 FBU 0.8872
133 VOH 0.8872
134 GIV 0.8870
135 HCA 0.8867
136 SHG 0.8867
137 5HY 0.8862
138 GLA 0.8859
139 JKZ 0.8857
140 AMG 0.8855
141 FHN 0.8853
142 8S0 0.8853
143 GLG 0.8852
144 3MG 0.8851
145 QPR 0.8851
146 4ME 0.8850
147 AW5 0.8846
148 5WY 0.8846
149 149 0.8844
150 HLZ 0.8841
151 MJ2 0.8836
152 DNC 0.8835
153 791 0.8833
154 PRZ 0.8833
155 EV0 0.8832
156 GCB 0.8832
157 GIO 0.8830
158 2A7 0.8828
159 AH8 0.8825
160 ICO 0.8820
161 3AB 0.8820
162 SF9 0.8819
163 SER PRO 0.8819
164 MBG 0.8816
165 SR4 0.8814
166 069 0.8813
167 GCU 0.8812
168 Z5P 0.8807
169 0GY 0.8806
170 12M 0.8800
171 2D3 0.8799
172 2CG 0.8797
173 KTA 0.8796
174 BRR 0.8795
175 EMZ 0.8793
176 Q88 0.8791
177 53C 0.8790
178 7NI 0.8788
179 7VS 0.8788
180 DBJ 0.8783
181 HMQ 0.8782
182 ZZ3 0.8781
183 23J 0.8780
184 V55 0.8780
185 2FG 0.8776
186 4CS 0.8775
187 7UC 0.8773
188 0GZ 0.8768
189 49N 0.8767
190 F69 0.8766
191 FRU 0.8765
192 PFL 0.8764
193 AS3 0.8763
194 NVU 0.8761
195 8VN 0.8754
196 4XV 0.8753
197 ADA 0.8753
198 BMA 0.8753
199 HLD 0.8753
200 SXS 0.8752
201 40H 0.8751
202 P22 0.8749
203 256 0.8748
204 7WR 0.8748
205 FE DB1 0.8746
206 3PO 0.8741
207 3HA 0.8740
208 X8Z 0.8739
209 4TE 0.8739
210 KDF 0.8739
211 3SK 0.8738
212 UFV 0.8738
213 ASC 0.8737
214 9KH 0.8737
215 2H5 0.8735
216 MEV 0.8734
217 UNC 0.8732
218 YIO 0.8731
219 3R9 0.8728
220 M0Q 0.8728
221 G2H 0.8726
222 1Z8 0.8726
223 PX7 0.8726
224 DIG 0.8725
225 6JN 0.8724
226 7N0 0.8721
227 293 0.8718
228 DBH 0.8718
229 6OT 0.8716
230 GLY CYS 0.8716
231 X6X 0.8715
232 DNF 0.8715
233 MAN 0.8711
234 1X7 0.8707
235 SX1 0.8705
236 1GN 0.8705
237 AQK 0.8704
238 PZI 0.8703
239 MZB 0.8702
240 GOG 0.8701
241 6LW 0.8700
242 GYP 0.8697
243 3F0 0.8696
244 IGA 0.8694
245 QIC 0.8694
246 141 0.8692
247 6AP 0.8690
248 EUG 0.8689
249 M1E 0.8687
250 AZA 0.8686
251 PPK 0.8685
252 4NC 0.8685
253 F31 0.8684
254 4XS 0.8684
255 FBW 0.8683
256 M0W 0.8681
257 FA3 0.8680
258 4WK 0.8680
259 HA7 0.8678
260 B2J 0.8673
261 F0J 0.8673
262 LFR 0.8672
263 NMJ 0.8672
264 290 0.8672
265 EVA 0.8672
266 SHA 0.8671
267 AZG 0.8671
268 5RN 0.8669
269 M1Q 0.8669
270 XXG 0.8668
271 FBG 0.8666
272 4P0 0.8662
273 UEG 0.8654
274 DX4 0.8653
275 8GK 0.8653
276 K3Q 0.8646
277 DQA 0.8644
278 51R 0.8642
279 KIA 0.8641
280 210 0.8640
281 EOL 0.8635
282 REL 0.8635
283 15L 0.8634
284 RIB 0.8633
285 GOX 0.8631
286 87L 0.8626
287 OIA 0.8625
288 GLT 0.8624
289 6GU 0.8624
290 A2F 0.8621
291 4AV 0.8620
292 AHD 0.8619
293 GXL 0.8617
294 PA1 0.8617
295 M2K 0.8615
296 J9Q 0.8615
297 DBX 0.8612
298 GTL 0.8612
299 KDO 0.8610
300 KAI 0.8610
301 2TQ 0.8605
302 1XM 0.8605
303 B55 0.8601
304 98J 0.8593
305 787 0.8591
306 YH7 0.8590
307 JR2 0.8588
308 CFP 0.8586
309 AVI 0.8585
310 XCZ 0.8584
311 KFH 0.8580
312 2D0 0.8577
313 2DR 0.8576
314 H6B 0.8573
315 SLC 0.8569
316 24W 0.8567
317 MT0 0.8566
318 KT7 0.8560
319 3MV 0.8559
320 1XN 0.8558
321 S2T 0.8556
322 AHR 0.8549
323 PSV 0.8542
324 ZWZ 0.8539
325 CN0 0.8526
326 FDK 0.8517
327 AX3 0.8517
Similar Binding Sites (Proteins are less than 50% similar to leader)
Pocket No.: 1; Query (leader) PDB : 1L5J; Ligand: TRA; Similar sites found with APoc: No similar binding sites found, or similarity not calculated due to duplicate pocket.
This union binding pocket(no: 1) in the query (biounit: 1l5j.bio2) has 14 residues
No: Leader PDB Ligand Sequence Similarity
Pocket No.: 2; Query (leader) PDB : 1L5J; Ligand: TRA; Similar sites found with APoc: No similar binding sites found, or similarity not calculated due to duplicate pocket.
This union binding pocket(no: 2) in the query (biounit: 1l5j.bio1) has 14 residues
No: Leader PDB Ligand Sequence Similarity
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