Receptor
PDB id Resolution Class Description Source Keywords
3HK8 2.2 Å EC: 5.-.-.- CRYSTAL STRUCTURE OF URONATE ISOMERASE FROM BACILLUS HALODURANS COMPLEXED WITH ZINC AND D-ARABINOHYDROXAMATE BACILLUS HALODURANS C-125 URONATE ISOMERASE D-ARABINOHYDROXAMATE MECHANISM OF THE REACTION
Ref.: THE MECHANISM OF THE REACTION CATALYZED BY URONATE ISOMERASE ILLUSTRATES HOW AN ISOMERASE MAY HAVE EVOLVED FROM A HYDROLASE WITHIN THE AMIDOHYDROLASE SUPERFAMILY. BIOCHEMISTRY V. 48 8879 2009
Ligand
Ligand Chain:Residue Validity Ligand Warnings Binding Data NGL Viewer Molecular Weight (Da) Formula SMILES
CL A:432;
B:432;
 Invalid;
Invalid;
 none;
none;
 submit data
35.453 Cl [Cl-]
CO3 A:429;
B:429;
 Invalid;
Invalid;
 none;
none;
 submit data
60.009 C O3 C(=O)...
HDL A:428;
B:428;
 Valid;
Valid;
 none;
none;
 submit data
195.127 C5 H9 N O7 [C@@H...
ZN A:430;
A:431;
B:430;
B:431;
 Part of Protein;
Part of Protein;
Part of Protein;
Part of Protein;
 none;
none;
none;
none;
 submit data
65.409 Zn [Zn+2...
View in 3D viewer
90% Homology Family
Leader
PDB id Resolution Class Description Source Keywords
3HKA 1.9 Å EC: 5.-.-.- CRYSTAL STRUCTURE OF URONATE ISOMERASE FROM BACILLUS HALODURANS COMPLEXED WITH ZINC AND D-FRUCTURONATE BACILLUS HALODURANS C-125 URONATE ISOMERASE D-FRUCTURONATE MECHANISM OF THE REACTION
Ref.: THE MECHANISM OF THE REACTION CATALYZED BY URONATE ISOMERASE ILLUSTRATES HOW AN ISOMERASE MAY HAVE EVOLVED FROM A HYDROLASE WITHIN THE AMIDOHYDROLASE SUPERFAMILY. BIOCHEMISTRY V. 48 8879 2009
Members (5)
No: PDB id Binding Data Representative ligand Formula Smiles
The Class containing this family consists of a total of 30 families.
1 3HK9 - REL C6 H10 O7 C(=O)[C@@H....
2 3HK8 - HDL C5 H9 N O7 [C@@H]([C@....
3 3HK7 - RAT C5 H8 O7 C([C@@H](C....
4 3HKA - FIX C6 H8 O7 C(=O)C(=O)....
5 3HK5 - RAT C5 H8 O7 C([C@@H](C....
70% Homology Family (5)
No: PDB id Binding Data Representative ligand Formula Smiles
The Class containing this family consists of a total of 29 families.
1 3HK9 - REL C6 H10 O7 C(=O)[C@@H....
2 3HK8 - HDL C5 H9 N O7 [C@@H]([C@....
3 3HK7 - RAT C5 H8 O7 C([C@@H](C....
4 3HKA - FIX C6 H8 O7 C(=O)C(=O)....
5 3HK5 - RAT C5 H8 O7 C([C@@H](C....
50% Homology Family (5)
No: PDB id Binding Data Representative ligand Formula Smiles
The Class containing this family consists of a total of 21 families.
1 3HK9 - REL C6 H10 O7 C(=O)[C@@H....
2 3HK8 - HDL C5 H9 N O7 [C@@H]([C@....
3 3HK7 - RAT C5 H8 O7 C([C@@H](C....
4 3HKA - FIX C6 H8 O7 C(=O)C(=O)....
5 3HK5 - RAT C5 H8 O7 C([C@@H](C....
Polypharmacology
Similar Ligands (2D)
Ligand no: 1; Ligand: HDL; Similar ligands found: 3
No: Ligand ECFP6 Tc MDL keys Tc
1 HDL 1 1
2 LLH 1 1
3 XYH 0.580645 0.970588
Similar Ligands (3D)
Ligand no: 1; Ligand: HDL; Similar ligands found: 416
No: Ligand Similarity coefficient
1 RAT 0.9799
2 FUD 0.9427
3 LPK 0.9397
4 LFC 0.9369
5 ADA 0.9314
6 8WO 0.9304
7 SKM 0.9290
8 SOR 0.9278
9 KDG 0.9252
10 HIS 0.9230
11 PHE 0.9220
12 6FZ 0.9215
13 CS2 0.9210
14 QIC 0.9189
15 REL 0.9175
16 ESX 0.9171
17 GAE 0.9166
18 MSR 0.9166
19 1F1 0.9139
20 GJP 0.9121
21 N2I 0.9116
22 BZ2 0.9113
23 TAG 0.9109
24 DHK 0.9104
25 2CZ 0.9097
26 ESI 0.9096
27 0HN 0.9093
28 AKG 0.9092
29 23J 0.9091
30 149 0.9090
31 GCO 0.9090
32 INO 0.9088
33 DHB 0.9085
34 6NT 0.9082
35 GLA 0.9078
36 GLC 0.9075
37 JTH 0.9074
38 E4P 0.9072
39 FIX 0.9072
40 3NY 0.9068
41 PRZ 0.9067
42 4VY 0.9066
43 MAH 0.9065
44 HQJ 0.9065
45 LNR 0.9064
46 0F9 0.9061
47 LGT 0.9060
48 2ZM 0.9060
49 HJH 0.9054
50 GTR 0.9046
51 DZA 0.9043
52 3BU 0.9042
53 0HO 0.9040
54 2HO 0.9038
55 6NI 0.9038
56 QUS 0.9035
57 3A9 0.9035
58 DHS 0.9034
59 4P5 0.9034
60 NAG 0.9033
61 BDP 0.9033
62 TWO 0.9032
63 OGA 0.9030
64 SMN 0.9029
65 ODO 0.9029
66 4WL 0.9029
67 GCU 0.9029
68 NFA 0.9027
69 MAJ 0.9025
70 S2P 0.9024
71 92K 0.9022
72 CHB 0.9022
73 4NC 0.9021
74 MCO 0.9021
75 R20 0.9020
76 4P0 0.9019
77 L99 0.9017
78 ICB 0.9015
79 GLU 0.9014
80 4AA 0.9008
81 DHY 0.9007
82 BGC 0.9006
83 173 0.9004
84 FA0 0.9002
85 B3U 0.9000
86 GAL 0.9000
87 RNS 0.8999
88 GLN 0.8998
89 93K 0.8997
90 1M2 0.8995
91 12T 0.8995
92 ASC 0.8995
93 EVA 0.8994
94 IAC 0.8991
95 ESP 0.8988
96 HA5 0.8985
97 DOB 0.8983
98 5RO 0.8981
99 HFA 0.8980
100 CUW 0.8977
101 4ZA 0.8977
102 MTL 0.8973
103 PA1 0.8973
104 MYJ 0.8972
105 GCB 0.8972
106 X6X 0.8968
107 9ON 0.8968
108 HGA 0.8965
109 8ZE 0.8964
110 LDP 0.8963
111 FOC 0.8962
112 SOL 0.8962
113 GF4 0.8960
114 XIY 0.8959
115 IHB 0.8958
116 PHB 0.8955
117 2FG 0.8955
118 DEZ 0.8955
119 QSB 0.8953
120 NPO 0.8952
121 P9P 0.8950
122 5CU 0.8947
123 JDN 0.8947
124 ONR 0.8946
125 L5V 0.8946
126 FGZ 0.8946
127 52C 0.8945
128 HDH 0.8943
129 BHA 0.8942
130 7D2 0.8940
131 5XC 0.8935
132 OSE 0.8933
133 G4D 0.8933
134 GDE 0.8930
135 6TZ 0.8930
136 15N 0.8924
137 3YP 0.8922
138 CXP 0.8921
139 S2G 0.8921
140 GXL 0.8918
141 RNT 0.8918
142 3PF 0.8917
143 5OB 0.8917
144 EXD 0.8917
145 NCT 0.8917
146 15L 0.8916
147 SEP 0.8916
148 FH2 0.8914
149 5XB 0.8913
150 5NI 0.8911
151 3LR 0.8911
152 LY0 0.8909
153 FDK 0.8905
154 5NU 0.8904
155 JB8 0.8903
156 2FY 0.8903
157 BZ3 0.8903
158 4XV 0.8903
159 2H5 0.8901
160 8NX 0.8899
161 45L 0.8899
162 GLR 0.8897
163 GZL 0.8896
164 AOS 0.8893
165 FLC 0.8892
166 Q02 0.8892
167 61M 0.8890
168 TIH 0.8888
169 0A9 0.8887
170 VXX 0.8885
171 8W9 0.8884
172 X0V 0.8883
173 ABI 0.8882
174 HQD 0.8879
175 DHI 0.8879
176 MBG 0.8878
177 YIO 0.8878
178 BCU 0.8875
179 F31 0.8874
180 2BX 0.8874
181 BMA 0.8872
182 3PG 0.8870
183 BDF 0.8868
184 A7W 0.8868
185 DIN 0.8866
186 IF7 0.8865
187 UFV 0.8864
188 PIM 0.8864
189 IFP 0.8863
190 9ZE 0.8862
191 GLO 0.8860
192 KMH 0.8859
193 DAL DAL 0.8858
194 6JN 0.8858
195 R2P 0.8858
196 AL0 0.8856
197 NDG 0.8855
198 EKZ 0.8853
199 SYM 0.8846
200 J9Q 0.8846
201 URC 0.8846
202 CIT 0.8845
203 9FE 0.8844
204 41K 0.8842
205 0W1 0.8842
206 FA3 0.8841
207 1GN 0.8841
208 FF3 0.8840
209 7N0 0.8839
210 CN0 0.8838
211 8WT 0.8838
212 9TW 0.8837
213 VNL 0.8835
214 2HG 0.8834
215 AMG 0.8833
216 9RH 0.8830
217 QSH 0.8830
218 DGJ 0.8829
219 AMQ 0.8829
220 CTS 0.8829
221 R9Y 0.8828
222 3MF 0.8828
223 K6H 0.8827
224 M5H 0.8827
225 XLS 0.8826
226 DEE 0.8826
227 ONL 0.8824
228 9SE 0.8823
229 SHI 0.8823
230 Q07 0.8821
231 0JD 0.8820
232 3HG 0.8818
233 069 0.8816
234 DMJ 0.8815
235 4ME 0.8813
236 FA1 0.8809
237 XX2 0.8808
238 DNF 0.8808
239 2LY 0.8808
240 GVG 0.8807
241 FHN 0.8807
242 4XS 0.8807
243 FOM 0.8802
244 2BG 0.8802
245 ORO 0.8800
246 BHO 0.8799
247 5QX 0.8798
248 ASO 0.8796
249 2IT 0.8796
250 2D8 0.8795
251 97T 0.8793
252 2GS 0.8791
253 4FH 0.8791
254 DGL 0.8790
255 GOX 0.8788
256 AFR 0.8786
257 NGO 0.8786
258 ALL 0.8784
259 ZXD 0.8784
260 ROR 0.8783
261 FHB 0.8783
262 Q06 0.8782
263 GCS 0.8781
264 1Y6 0.8781
265 GAF 0.8780
266 DOR 0.8779
267 PZI 0.8779
268 HG3 0.8778
269 3OC 0.8776
270 SDD 0.8775
271 LYS 0.8775
272 SHG 0.8774
273 G2F 0.8771
274 1SV 0.8769
275 PHU 0.8768
276 GTL 0.8768
277 3IT 0.8767
278 GGL 0.8767
279 7WR 0.8766
280 4SX 0.8766
281 SYV 0.8765
282 ALA ALA 0.8764
283 D1X 0.8763
284 CH9 0.8763
285 KTW 0.8762
286 SRT 0.8760
287 RES 0.8759
288 HIC 0.8759
289 XYL 0.8759
290 LYN 0.8759
291 SOE 0.8758
292 URQ 0.8758
293 NNO 0.8755
294 DXG 0.8755
295 JRB 0.8753
296 JF6 0.8750
297 GTK 0.8749
298 M1Z 0.8749
299 4A3 0.8748
300 LT2 0.8747
301 KBG 0.8747
302 RB5 0.8743
303 RB0 0.8743
304 9PY 0.8742
305 3HM 0.8741
306 AX3 0.8739
307 0FK 0.8739
308 NOK 0.8739
309 DQA 0.8739
310 KTA 0.8733
311 SKG 0.8733
312 GNL 0.8732
313 ICT 0.8730
314 P4F 0.8729
315 NDH 0.8727
316 LKA 0.8726
317 PIY 0.8726
318 F98 0.8723
319 6R8 0.8722
320 XX3 0.8721
321 JND 0.8719
322 Q03 0.8718
323 NGT 0.8715
324 2FT 0.8713
325 LGC 0.8713
326 GBN 0.8710
327 EMZ 0.8710
328 X1R 0.8710
329 NGW 0.8710
330 NSG 0.8709
331 1AL 0.8709
332 NOJ 0.8705
333 G3F 0.8705
334 KYA 0.8703
335 TPO 0.8702
336 8GL 0.8694
337 HYA 0.8694
338 0N7 0.8692
339 VOH 0.8689
340 AVI 0.8683
341 RUY 0.8681
342 ALA PRO 0.8681
343 CTL 0.8678
344 SWA 0.8676
345 KOJ 0.8676
346 NBG 0.8675
347 GLY PRO 0.8674
348 95Z 0.8674
349 717 0.8672
350 2HU 0.8672
351 5FN 0.8669
352 3HA 0.8669
353 H42 0.8668
354 IJZ 0.8666
355 DYT 0.8665
356 6RQ 0.8661
357 SXS 0.8660
358 D48 0.8659
359 PEP 0.8657
360 XXP 0.8656
361 3MG 0.8653
362 IPM 0.8652
363 IFL 0.8652
364 GLF 0.8651
365 2A9 0.8651
366 1X4 0.8650
367 DLY 0.8650
368 DBH 0.8650
369 QDK 0.8649
370 0P6 0.8648
371 FBU 0.8647
372 5FX 0.8646
373 E7Z 0.8645
374 Q88 0.8643
375 FBB 0.8641
376 AEH 0.8641
377 1XA 0.8639
378 MET 0.8637
379 DXP 0.8636
380 BEA 0.8634
381 ISD 0.8631
382 DER 0.8630
383 CCB 0.8630
384 R8V 0.8628
385 A13 0.8627
386 HHA 0.8626
387 7A2 0.8625
388 LX1 0.8623
389 KG1 0.8622
390 G3E 0.8618
391 34D 0.8611
392 N2Z 0.8607
393 7A3 0.8603
394 ZWZ 0.8603
395 I38 0.8599
396 GLG 0.8598
397 HPV 0.8598
398 ORN 0.8593
399 94B 0.8579
400 N8Y 0.8579
401 SE2 0.8577
402 J5I 0.8577
403 ZZU 0.8576
404 ES5 0.8575
405 A9P 0.8569
406 293 0.8567
407 4MU 0.8567
408 ET2 0.8564
409 2PG 0.8563
410 AH8 0.8559
411 OCH 0.8557
412 5SP 0.8545
413 NOY 0.8542
414 FA6 0.8522
415 8SZ 0.8520
416 M4T 0.8512
Similar Binding Sites (Proteins are less than 50% similar to leader)
Pocket No.: 1; Query (leader) PDB : 3HKA; Ligand: FIX; 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: 3hka.bio1) has 14 residues
No: Leader PDB Ligand Sequence Similarity
Pocket No.: 2; Query (leader) PDB : 3HKA; Ligand: FIX; 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: 3hka.bio1) has 14 residues
No: Leader PDB Ligand Sequence Similarity
Pocket No.: 3; Query (leader) PDB : 3HKA; Ligand: FIX; Similar sites found with APoc: No similar binding sites found, or similarity not calculated due to duplicate pocket.
This union binding pocket(no: 3) in the query (biounit: 3hka.bio1) has 14 residues
No: Leader PDB Ligand Sequence Similarity
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