Receptor
PDB id Resolution Class Description Source Keywords
1O9O 2.3 Å EC: 3.-.-.- CRYSTAL STRUCTURE OF THE S131A MUTANT OF MALONAMIDASE E2 COM WITH MALONAMATE FROM BRADYRHIZOBIUM JAPONICUM BRADYRHIZOBIUM JAPONICUM AMIDASE MALONAMIDASE MUTANT MALONAMATE
Ref.: CHARACTERIZATION OF A NOVEL SER-CISSER-LYS CATALYTI IN COMPARISON WITH THE CLASSICAL SER-HIS-ASP TRIAD J.BIOL.CHEM. V. 278 24937 2003
Ligand
Ligand Chain:Residue Validity Ligand Warnings Binding Data NGL Viewer Molecular Weight (Da) Formula SMILES
MLM A:501;
B:501;
Valid;
Valid;
none;
none;
submit data
103.077 C3 H5 N O3 C(C(=...
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90% Homology Family
Leader
PDB id Resolution Class Description Source Keywords
1O9P 1.8 Å EC: 3.-.-.- CRYSTAL STRUCTURE OF THE S131A MUTANT OF MALONAMIDASE E2 COMPLEXED WITH MALONATE FROM BRADYRHIZOBIUM JAPONICUM BRADYRHIZOBIUM JAPONICUM AMIDASE MALONATE MALONAMIDASE HYDROLASE
Ref.: CHARACTERIZATION OF A NOVEL SER-CISSER-LYS CATALYTIC TRIAD IN COMPARISON WITH THE CLASSICAL SER-HIS-ASP TRIAD J.BIOL.CHEM. V. 278 24937 2003
Members (4)
No: PDB id Binding Data Representative ligand Formula Smiles
The Class containing this family consists of a total of 312 families.
1 1OBL - MLA C3 H4 O4 C(C(=O)O)C....
2 1O9O - MLM C3 H5 N O3 C(C(=O)N)C....
3 1OCL - MLA C3 H4 O4 C(C(=O)O)C....
4 1O9P - MLA C3 H4 O4 C(C(=O)O)C....
70% Homology Family (4)
No: PDB id Binding Data Representative ligand Formula Smiles
The Class containing this family consists of a total of 261 families.
1 1OBL - MLA C3 H4 O4 C(C(=O)O)C....
2 1O9O - MLM C3 H5 N O3 C(C(=O)N)C....
3 1OCL - MLA C3 H4 O4 C(C(=O)O)C....
4 1O9P - MLA C3 H4 O4 C(C(=O)O)C....
50% Homology Family (4)
No: PDB id Binding Data Representative ligand Formula Smiles
The Class containing this family consists of a total of 214 families.
1 1OBL - MLA C3 H4 O4 C(C(=O)O)C....
2 1O9O - MLM C3 H5 N O3 C(C(=O)N)C....
3 1OCL - MLA C3 H4 O4 C(C(=O)O)C....
4 1O9P - MLA C3 H4 O4 C(C(=O)O)C....
Polypharmacology
Similar Ligands (2D)
Ligand no: 1; Ligand: MLM; Similar ligands found: 2
No: Ligand ECFP6 Tc MDL keys Tc
1 MLM 1 1
2 OXM 0.466667 0.607143
Similar Ligands (3D)
Ligand no: 1; Ligand: MLM; Similar ligands found: 447
No: Ligand Similarity coefficient
1 MLI 1.0000
2 P2D 1.0000
3 MLA 1.0000
4 DMG 1.0000
5 C5J 1.0000
6 AAE 0.9977
7 IVA 0.9945
8 3HL 0.9929
9 3HR 0.9890
10 HV2 0.9813
11 24T 0.9754
12 IPU 0.9725
13 PRO 0.9723
14 CEJ 0.9667
15 FOA 0.9664
16 TFB 0.9630
17 DTL 0.9615
18 RCO 0.9611
19 284 0.9596
20 CRS 0.9595
21 DPR 0.9595
22 3PY 0.9592
23 PYC 0.9586
24 BAL 0.9583
25 25T 0.9571
26 MZ0 0.9567
27 OXL 0.9559
28 3CH 0.9558
29 CXL 0.9556
30 VAL 0.9552
31 HYN 0.9544
32 BUA 0.9541
33 THR 0.9541
34 273 0.9537
35 URA 0.9529
36 2HE 0.9527
37 GOL 0.9521
38 TP5 0.9516
39 KIV 0.9515
40 4JU 0.9511
41 BVF 0.9509
42 LG3 0.9503
43 CYT 0.9503
44 AOA 0.9502
45 2PC 0.9501
46 MAK 0.9501
47 BU4 0.9499
48 CYH 0.9498
49 1DH 0.9497
50 AKB 0.9497
51 2KT 0.9497
52 LG5 0.9492
53 NMG 0.9489
54 SER 0.9487
55 SAR 0.9480
56 OXD 0.9478
57 DSN 0.9477
58 KG7 0.9474
59 ALO 0.9469
60 BUB 0.9464
61 NVI 0.9464
62 2IM 0.9461
63 CYS 0.9457
64 DGY 0.9455
65 J1Z 0.9454
66 26D 0.9454
67 CHT 0.9453
68 LER 0.9447
69 DUC 0.9445
70 HX2 0.9444
71 JBN 0.9443
72 SIN 0.9442
73 1DU 0.9439
74 DXX 0.9439
75 HIU 0.9438
76 A2Q 0.9437
77 2MH 0.9436
78 MAE 0.9431
79 TZC 0.9427
80 POA 0.9427
81 PYR 0.9425
82 ABU 0.9424
83 HAI 0.9423
84 XIX 0.9422
85 282 0.9422
86 T2C 0.9419
87 192 0.9418
88 3BB 0.9406
89 265 0.9406
90 ALQ 0.9401
91 CP 0.9398
92 IQ0 0.9393
93 HDA 0.9391
94 DAL 0.9389
95 TB6 0.9388
96 PCT 0.9388
97 4H2 0.9380
98 HGQ 0.9379
99 HGY 0.9379
100 BAE 0.9377
101 FUM 0.9376
102 RSF 0.9376
103 GXE 0.9375
104 8GF 0.9373
105 MBN 0.9371
106 MPD 0.9371
107 IPH 0.9370
108 MZW 0.9369
109 HEW 0.9368
110 7VD 0.9367
111 BMD 0.9367
112 4MV 0.9367
113 CIG 0.9366
114 H95 0.9365
115 LEA 0.9364
116 PAE 0.9361
117 BXO 0.9355
118 FPI 0.9355
119 B3R 0.9353
120 2OP 0.9352
121 PLQ 0.9352
122 EGD 0.9350
123 M3T 0.9347
124 BVC 0.9345
125 3ZQ 0.9344
126 285 0.9343
127 SAT 0.9341
128 C21 0.9341
129 MSF 0.9341
130 9PO 0.9341
131 HVK 0.9330
132 HRZ 0.9329
133 3OH 0.9328
134 2AP 0.9325
135 DCL 0.9319
136 HQE 0.9317
137 S0H 0.9312
138 AMC 0.9312
139 3AP 0.9309
140 LGA 0.9308
141 IHG 0.9308
142 1AC 0.9308
143 LAC 0.9307
144 PRS 0.9305
145 WOT 0.9305
146 HVQ 0.9304
147 IDH 0.9303
148 7EX 0.9301
149 ECE 0.9299
150 JAB 0.9298
151 BVG 0.9298
152 1CB 0.9296
153 FW5 0.9293
154 JZ5 0.9291
155 4AP 0.9285
156 HBS 0.9285
157 ALA 0.9281
158 FCN 0.9275
159 SMV 0.9272
160 PUT 0.9271
161 APY 0.9271
162 HBX 0.9266
163 PY7 0.9264
164 SYN 0.9263
165 PCA 0.9261
166 DBB 0.9261
167 HPY 0.9261
168 HZP 0.9258
169 PRI 0.9257
170 M6W 0.9255
171 ETX 0.9254
172 HBR 0.9252
173 XAP 0.9251
174 3MT 0.9251
175 ABA 0.9250
176 3GR 0.9249
177 BUQ 0.9248
178 2RA 0.9248
179 CAQ 0.9241
180 8X3 0.9240
181 BAQ 0.9229
182 40O 0.9227
183 MTG 0.9227
184 H3M 0.9225
185 TF4 0.9224
186 L60 0.9221
187 A3B 0.9217
188 ABN 0.9212
189 BEN 0.9211
190 PPF 0.9211
191 MRY 0.9211
192 0CT 0.9205
193 BZF 0.9205
194 BEZ 0.9203
195 SSN 0.9201
196 DEN 0.9198
197 6PC 0.9195
198 THE 0.9191
199 PYM 0.9191
200 OXE 0.9191
201 OAA 0.9190
202 TAU 0.9189
203 03W 0.9187
204 BAM 0.9184
205 C2N 0.9184
206 YCP 0.9180
207 V1L 0.9180
208 XPO 0.9179
209 MEU 0.9179
210 ITU 0.9178
211 HYP 0.9178
212 BP9 0.9177
213 5AC 0.9176
214 IND 0.9175
215 1DQ 0.9172
216 23W 0.9172
217 9YL 0.9172
218 93B 0.9171
219 NAK 0.9170
220 DE2 0.9168
221 ATQ 0.9166
222 BZI 0.9163
223 1PT 0.9159
224 NTN 0.9157
225 MTD 0.9155
226 HSM 0.9151
227 9X7 0.9151
228 OXQ 0.9151
229 NCA 0.9151
230 1AN 0.9151
231 4HA 0.9147
232 TH0 0.9146
233 MCT 0.9146
234 0R1 0.9146
235 4JP 0.9144
236 LZ1 0.9142
237 MWM 0.9142
238 ODV 0.9139
239 GVH 0.9137
240 NIO 0.9134
241 HUI 0.9131
242 AMT 0.9131
243 OHG 0.9130
244 2MZ 0.9128
245 4MZ 0.9128
246 BEW 0.9128
247 MB3 0.9128
248 MPI 0.9126
249 B24 0.9125
250 1MZ 0.9119
251 SLP 0.9112
252 L89 0.9112
253 2EZ 0.9107
254 FJO 0.9106
255 TZL 0.9104
256 ZBT 0.9104
257 GBL 0.9103
258 NBZ 0.9102
259 280 0.9102
260 8LG 0.9101
261 AC5 0.9100
262 3SS 0.9098
263 OPE 0.9095
264 HSE 0.9093
265 4ZE 0.9093
266 93Q 0.9087
267 PYF 0.9082
268 FP2 0.9080
269 HY3 0.9079
270 39J 0.9077
271 NBE 0.9077
272 1MR 0.9077
273 VGL 0.9073
274 PE9 0.9073
275 FLA 0.9071
276 PYJ 0.9070
277 2CH 0.9069
278 IDM 0.9068
279 BTL 0.9067
280 HCS 0.9062
281 AML 0.9058
282 VAH 0.9057
283 UYA 0.9057
284 XBT 0.9056
285 MRZ 0.9054
286 DAB 0.9054
287 4HO 0.9049
288 6SP 0.9048
289 SMB 0.9048
290 GBD 0.9047
291 A8C 0.9045
292 14J 0.9041
293 GAG 0.9040
294 PGA 0.9037
295 FPY 0.9036
296 TAY 0.9036
297 DSS 0.9035
298 JZ0 0.9034
299 NIS 0.9033
300 92Z 0.9032
301 76X 0.9030
302 SS1 0.9027
303 MR3 0.9026
304 ILE 0.9024
305 IT2 0.9024
306 PZA 0.9023
307 PPV 0.9022
308 51F 0.9022
309 P7I 0.9021
310 1SP 0.9020
311 ETM 0.9018
312 IZC 0.9014
313 MLT 0.9012
314 PBC 0.9012
315 1MC 0.9012
316 EFS 0.9011
317 PAH 0.9009
318 TFS 0.9006
319 2AF 0.9002
320 XRG 0.9001
321 ICC 0.8999
322 NBN 0.8998
323 CSS 0.8997
324 UNU 0.8996
325 PIS 0.8992
326 ISU 0.8991
327 CRN 0.8990
328 HTS 0.8989
329 POP 0.8988
330 DCY 0.8984
331 NVA 0.8977
332 3CL 0.8977
333 ITN 0.8976
334 23B 0.8972
335 CMS 0.8972
336 3ZS 0.8970
337 69O 0.8970
338 VX 0.8965
339 FBJ 0.8961
340 ETF 0.8960
341 GLV 0.8957
342 AC0 0.8955
343 BUO 0.8954
344 YHO 0.8953
345 SGL 0.8949
346 SS2 0.8947
347 GG6 0.8939
348 2HA 0.8938
349 UY7 0.8934
350 DTU 0.8933
351 LMR 0.8930
352 E60 0.8930
353 LLQ 0.8930
354 XLS 0.8922
355 QFH 0.8921
356 ASN 0.8919
357 JZ9 0.8917
358 ASP 0.8916
359 TEO 0.8910
360 QSC 0.8909
361 2DR 0.8905
362 COM 0.8904
363 5Y9 0.8901
364 COI 0.8900
365 60P 0.8895
366 IOM 0.8895
367 NXA 0.8894
368 2PN 0.8886
369 M58 0.8886
370 PPI 0.8886
371 R8A 0.8883
372 9A4 0.8879
373 ICN 0.8875
374 PXO 0.8874
375 CRD 0.8874
376 FAH 0.8865
377 GLY 0.8864
378 54D 0.8861
379 CIZ 0.8857
380 TAR 0.8855
381 DAS 0.8854
382 9CL 0.8851
383 RSO 0.8851
384 9A7 0.8850
385 LDU 0.8849
386 FQI 0.8842
387 AKR 0.8836
388 SPA 0.8823
389 JYD 0.8813
390 A20 0.8808
391 URP 0.8808
392 F3V 0.8788
393 XUL 0.8788
394 7WG 0.8785
395 DYA 0.8785
396 HY1 0.8779
397 DTT 0.8777
398 BNS 0.8775
399 HLT 0.8774
400 RBL 0.8771
401 XYL 0.8765
402 9SB 0.8758
403 GOA 0.8756
404 UGC 0.8753
405 LEU 0.8749
406 9TY 0.8748
407 RB5 0.8737
408 KPL 0.8736
409 EDG 0.8734
410 RUU 0.8733
411 GXV 0.8732
412 98J 0.8731
413 TLA 0.8729
414 6M4 0.8729
415 PKU 0.8726
416 4CS 0.8716
417 40E 0.8712
418 2RH 0.8711
419 13D 0.8697
420 TZE 0.8687
421 GLL 0.8677
422 MXN 0.8664
423 OK7 0.8661
424 HYA 0.8654
425 2CO 0.8638
426 XM0 0.8634
427 SRT 0.8634
428 9X6 0.8633
429 PAF 0.8631
430 ISZ 0.8629
431 ATO 0.8626
432 1AB 0.8608
433 PBE 0.8606
434 GLU 0.8605
435 BHO 0.8596
436 L3Q 0.8595
437 R2B 0.8587
438 MET 0.8580
439 HIO 0.8576
440 MDN 0.8572
441 PEA 0.8563
442 271 0.8559
443 R1X 0.8553
444 ABE 0.8544
445 2AS 0.8542
446 PEL 0.8538
447 PEP 0.8529
Similar Binding Sites (Proteins are less than 50% similar to leader)
Pocket No.: 1; Query (leader) PDB : 1O9P; Ligand: MLA; 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: 1o9p.bio1) has 15 residues
No: Leader PDB Ligand Sequence Similarity
Pocket No.: 2; Query (leader) PDB : 1O9P; Ligand: MLA; 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: 1o9p.bio1) has 14 residues
No: Leader PDB Ligand Sequence Similarity
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