Receptor
PDB id Resolution Class Description Source Keywords
2HXU 1.8 Å EC: 4.-.-.- CRYSTAL STRUCTURE OF K220A MUTANT OF L-FUCONATE DEHYDRATASE XANTHOMONAS CAMPESTRIS LIGANDED WITH MG++ AND L-FUCONATE XANTHOMONAS CAMPESTRIS PV. CAMPESTRIS L-FUCONATE DEHYDRATASE ENOLASE SUPERFAMILY L-FUCONATE UNKFUNCTION
Ref.: EVOLUTION OF ENZYMATIC ACTIVITIES IN THE ENOLASE SUPERFAMILY: L-FUCONATE DEHYDRATASE FROM XANTHOMONA CAMPESTRIS. BIOCHEMISTRY V. 45 14582 2006
Ligand
Ligand Chain:Residue Validity Ligand Warnings Binding Data NGL Viewer Molecular Weight (Da) Formula SMILES
LFC A:501;
 Valid;
 none;
 submit data
180.156 C6 H12 O6 C[C@@...
MG A:601;
 Part of Protein;
 none;
 submit data
24.305 Mg [Mg+2...
SO4 A:602;
A:603;
A:604;
 Invalid;
Invalid;
Invalid;
 none;
none;
none;
 submit data
96.063 O4 S [O-]S...
View in 3D viewer
90% Homology Family
Leader
PDB id Resolution Class Description Source Keywords
2HXT 1.7 Å EC: 4.-.-.- CRYSTAL STRUCTURE OF L-FUCONATE DEHYDRATASE FROM XANTHOMONAS CAMPESTRIS LIGANDED WITH MG++ AND D-ERYTHRONOHYDROXAMATE XANTHOMONAS CAMPESTRIS PV. CAMPESTRIS L-FUCONATE DEHYDRATASE ENOLASE SUPERFAMILY D-ERYTHROMOHYDRUNKNOWN FUNCTION
Ref.: EVOLUTION OF ENZYMATIC ACTIVITIES IN THE ENOLASE SUPERFAMILY: L-FUCONATE DEHYDRATASE FROM XANTHOMONA CAMPESTRIS. BIOCHEMISTRY V. 45 14582 2006
Members (2)
No: PDB id Binding Data Representative ligand Formula Smiles
The Class containing this family consists of a total of 62 families.
1 2HXT - EHM C4 H9 N O5 C([C@H]([C....
2 2HXU - LFC C6 H12 O6 C[C@@H]([C....
70% Homology Family (2)
No: PDB id Binding Data Representative ligand Formula Smiles
The Class containing this family consists of a total of 59 families.
1 2HXT - EHM C4 H9 N O5 C([C@H]([C....
2 2HXU - LFC C6 H12 O6 C[C@@H]([C....
50% Homology Family (2)
No: PDB id Binding Data Representative ligand Formula Smiles
The Class containing this family consists of a total of 47 families.
1 2HXT - EHM C4 H9 N O5 C([C@H]([C....
2 2HXU - LFC C6 H12 O6 C[C@@H]([C....
Polypharmacology
Similar Ligands (2D)
Ligand no: 1; Ligand: LFC; Similar ligands found: 15
No: Ligand ECFP6 Tc MDL keys Tc
1 LFC 1 1
2 LGT 0.636364 0.777778
3 GAE 0.636364 0.777778
4 RAT 0.5 0.777778
5 CS2 0.451613 0.608696
6 GCO 0.451613 0.608696
7 REL 0.451613 0.823529
8 TLA 0.434783 0.777778
9 SRT 0.434783 0.777778
10 TAR 0.434783 0.777778
11 LAC 0.434783 0.8
12 2OP 0.434783 0.8
13 IPM 0.428571 0.789474
14 ALO 0.407407 0.619048
15 THR 0.407407 0.619048
Similar Ligands (3D)
Ligand no: 1; Ligand: LFC; Similar ligands found: 383
No: Ligand Similarity coefficient
1 FOC 0.9572
2 FIX 0.9501
3 BNL 0.9414
4 FUD 0.9398
5 HIS 0.9398
6 MTL 0.9391
7 AKG 0.9370
8 HDL 0.9369
9 PHE 0.9360
10 6NI 0.9354
11 AOT 0.9351
12 HHH 0.9337
13 GLU 0.9331
14 SOR 0.9325
15 6NT 0.9321
16 GLN 0.9316
17 23J 0.9316
18 3NY 0.9309
19 3PG 0.9307
20 GLO 0.9286
21 92K 0.9280
22 1F1 0.9276
23 SEP 0.9275
24 ICB 0.9274
25 FK8 0.9264
26 RNT 0.9260
27 OGA 0.9255
28 DHI 0.9248
29 NCT 0.9247
30 MSR 0.9247
31 XYH 0.9246
32 SMN 0.9245
33 A3M 0.9243
34 9RW 0.9241
35 TAG 0.9237
36 5NI 0.9237
37 OSE 0.9236
38 PPY 0.9229
39 8OZ 0.9226
40 XYL 0.9224
41 6FZ 0.9224
42 ROR 0.9223
43 C5A 0.9219
44 XUL 0.9216
45 TYL 0.9216
46 173 0.9215
47 DAL DAL 0.9211
48 PSJ 0.9210
49 K6H 0.9208
50 5FX 0.9207
51 TIH 0.9204
52 RNS 0.9200
53 GVG 0.9194
54 DZA 0.9187
55 HF2 0.9178
56 SOL 0.9178
57 449 0.9166
58 AL0 0.9163
59 LPK 0.9162
60 PMF 0.9159
61 RBL 0.9159
62 6JN 0.9158
63 9ON 0.9156
64 3YP 0.9150
65 3LR 0.9146
66 DYT 0.9146
67 S2G 0.9145
68 HYA 0.9144
69 R2P 0.9140
70 XLS 0.9139
71 CPZ 0.9136
72 ISZ 0.9133
73 HFA 0.9133
74 KMH 0.9131
75 EHM 0.9131
76 HDH 0.9128
77 GGL 0.9127
78 RMN 0.9125
79 MES 0.9124
80 AOS 0.9123
81 PEP 0.9122
82 SNU 0.9116
83 OTR 0.9115
84 NPO 0.9111
85 SD4 0.9108
86 5XB 0.9107
87 LY0 0.9107
88 BHO 0.9102
89 AHB 0.9099
90 GBN 0.9099
91 2FT 0.9096
92 HNH 0.9095
93 3MF 0.9093
94 ABI 0.9093
95 CXP 0.9084
96 GRO 0.9084
97 S2P 0.9079
98 XDK 0.9078
99 KDG 0.9073
100 DPN 0.9073
101 61M 0.9073
102 3HG 0.9070
103 HCI 0.9066
104 3BU 0.9064
105 JF6 0.9063
106 NFA 0.9061
107 SDD 0.9060
108 MS9 0.9059
109 7A8 0.9059
110 9J3 0.9058
111 MUC 0.9058
112 B85 0.9057
113 SHI 0.9056
114 A29 0.9054
115 AMH 0.9054
116 PO6 0.9053
117 SYM 0.9047
118 41K 0.9045
119 M4T 0.9044
120 QUS 0.9037
121 8EW 0.9037
122 I38 0.9037
123 HPV 0.9035
124 152 0.9034
125 4HP 0.9031
126 LUQ 0.9029
127 LNR 0.9028
128 GZQ 0.9028
129 SKJ 0.9028
130 CUW 0.9028
131 2BX 0.9025
132 OHP 0.9024
133 ALA ALA 0.9024
134 MAH 0.9023
135 QMP 0.9022
136 DE5 0.9021
137 ONL 0.9014
138 1SA 0.9013
139 ZGL 0.9012
140 2HG 0.9012
141 EN1 0.9011
142 2IT 0.9010
143 13P 0.9009
144 PZI 0.9009
145 GLR 0.9008
146 LYS 0.9004
147 RJY 0.9003
148 HL4 0.8999
149 JRB 0.8999
150 SPV 0.8998
151 9SE 0.8997
152 LMR 0.8995
153 DXG 0.8994
154 4LV 0.8993
155 GTK 0.8993
156 RUY 0.8991
157 PHU 0.8991
158 HG3 0.8989
159 56D 0.8989
160 RB0 0.8986
161 RB5 0.8986
162 LDP 0.8982
163 5RP 0.8982
164 Q03 0.8972
165 2FY 0.8969
166 L14 0.8968
167 2AS 0.8967
168 ASP 0.8967
169 SME 0.8964
170 DII 0.8963
171 PFL 0.8963
172 GVM 0.8959
173 PBA 0.8956
174 J9T 0.8951
175 FBM 0.8950
176 G3P 0.8948
177 QY9 0.8948
178 TYE 0.8945
179 PIM 0.8944
180 BNF 0.8944
181 RUJ 0.8942
182 HPS 0.8941
183 40F 0.8941
184 DGL 0.8939
185 HNK 0.8936
186 DEW 0.8935
187 B3U 0.8935
188 8GL 0.8930
189 HSO 0.8929
190 Q06 0.8929
191 PD2 0.8929
192 9X6 0.8927
193 MZT 0.8927
194 4LW 0.8926
195 S24 0.8926
196 1SV 0.8926
197 F9P 0.8926
198 AEF 0.8923
199 J9N 0.8921
200 ICT 0.8917
201 CIT 0.8917
202 GJZ 0.8916
203 ASN 0.8914
204 3C4 0.8910
205 C1M 0.8908
206 36Y 0.8908
207 LTL 0.8908
208 4PN 0.8905
209 R20 0.8904
210 ACH 0.8904
211 OAA 0.8903
212 FHC 0.8900
213 LLH 0.8899
214 AEG 0.8899
215 J9Q 0.8899
216 GUA 0.8894
217 MHO 0.8894
218 1L5 0.8893
219 HQJ 0.8892
220 B09 0.8892
221 HPP 0.8891
222 6TZ 0.8888
223 XDE 0.8888
224 GZ3 0.8885
225 M44 0.8884
226 HHI 0.8882
227 7VP 0.8882
228 7OD 0.8881
229 PC 0.8880
230 DGN 0.8880
231 GLY GLY 0.8875
232 URQ 0.8873
233 SYC 0.8872
234 E4P 0.8870
235 2D8 0.8867
236 M74 0.8867
237 MEV 0.8867
238 LNO 0.8866
239 CH9 0.8863
240 XIZ 0.8862
241 LEU 0.8860
242 XXP 0.8860
243 HBU 0.8858
244 KTA 0.8855
245 4FA 0.8855
246 P58 0.8852
247 ORN 0.8852
248 PH3 0.8852
249 B40 0.8852
250 TYR 0.8851
251 L5V 0.8850
252 HX4 0.8848
253 7UC 0.8845
254 2UB 0.8837
255 Q02 0.8837
256 1GP 0.8836
257 PGH 0.8836
258 3CR 0.8832
259 FF3 0.8832
260 TPO 0.8830
261 AHN 0.8828
262 GWM 0.8827
263 MET 0.8826
264 5WZ 0.8825
265 HGA 0.8824
266 G3H 0.8824
267 AFS 0.8822
268 DIR 0.8822
269 QDK 0.8821
270 4RW 0.8821
271 M3H 0.8819
272 4VY 0.8817
273 IP8 0.8805
274 YRL 0.8805
275 N4B 0.8805
276 HMS 0.8802
277 3QM 0.8795
278 KTJ 0.8795
279 K6V 0.8794
280 HJH 0.8791
281 FEH 0.8790
282 R9S 0.8790
283 KMT 0.8789
284 VAH 0.8788
285 MEQ 0.8786
286 PEQ 0.8786
287 I4B 0.8784
288 COI 0.8782
289 HIC 0.8782
290 IXW 0.8781
291 BTM 0.8781
292 PPT 0.8779
293 GP9 0.8778
294 THE 0.8776
295 IZC 0.8776
296 CCE 0.8774
297 98J 0.8771
298 TCA 0.8767
299 AHC 0.8755
300 IOM 0.8753
301 MSE 0.8753
302 Q9Z 0.8753
303 7BC 0.8750
304 MSL 0.8749
305 1X4 0.8748
306 DXP 0.8745
307 BHU 0.8742
308 7A3 0.8742
309 GPF 0.8741
310 O45 0.8736
311 SNE 0.8734
312 RES 0.8733
313 LX1 0.8730
314 YZM 0.8727
315 0VT 0.8726
316 GPJ 0.8726
317 MIC 0.8724
318 NLE 0.8723
319 EDR 0.8722
320 L22 0.8721
321 36M 0.8720
322 PRO GLY 0.8715
323 7C3 0.8710
324 0A9 0.8709
325 PCS 0.8708
326 11C 0.8707
327 HL5 0.8707
328 2CO 0.8705
329 PIY 0.8701
330 ISA 0.8700
331 JZA 0.8699
332 M45 0.8695
333 4LR 0.8693
334 E1P 0.8692
335 Z13 0.8689
336 PRA 0.8689
337 ALE 0.8687
338 49F 0.8683
339 R67 0.8682
340 OKG 0.8681
341 ENO 0.8680
342 YPN 0.8674
343 Q04 0.8671
344 FBJ 0.8671
345 A7N 0.8668
346 1Z6 0.8663
347 129 0.8663
348 UN1 0.8663
349 AH8 0.8661
350 I3E 0.8655
351 UA5 0.8653
352 Q07 0.8653
353 S8V 0.8649
354 MED 0.8648
355 IFG 0.8647
356 CCD 0.8645
357 LYN 0.8643
358 DLY 0.8635
359 KPA 0.8631
360 GLY ALA 0.8629
361 4V2 0.8626
362 8U3 0.8625
363 NLG 0.8621
364 E0O 0.8620
365 SG3 0.8613
366 269 0.8612
367 M72 0.8611
368 TYC 0.8610
369 OEG 0.8607
370 P7Y 0.8604
371 1CO 0.8597
372 268 0.8588
373 ONH 0.8582
374 5DL 0.8574
375 PBN 0.8562
376 FOM 0.8556
377 0BP 0.8556
378 PSE 0.8555
379 3VW 0.8549
380 BL0 0.8545
381 M5E 0.8543
382 ENV 0.8539
383 GGB 0.8534
Similar Binding Sites (Proteins are less than 50% similar to leader)
Pocket No.: 1; Query (leader) PDB : 2HXT; Ligand: EHM; 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: 2hxt.bio1) has 18 residues
No: Leader PDB Ligand Sequence Similarity
Pocket No.: 2; Query (leader) PDB : 2HXT; Ligand: EHM; 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: 2hxt.bio1) has 18 residues
No: Leader PDB Ligand Sequence Similarity
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