-->
Receptor
PDB id Resolution Class Description Source Keywords
1FUR 1.95 Å EC: 4.2.1.2 FUMARASE MUTANT H188N WITH BOUND SUBSTRATE L-MALATE AT PUTAT ACTIVATOR SITE ESCHERICHIA COLI HYDROLYASE CARBON OXYGEN LYASE KREB-prime S CYCLE ENZYME FUMARAHYDRATASE
Ref.: MUTATIONS OF FUMARASE THAT DISTINGUISH BETWEEN THE SITE AND A NEARBY DICARBOXYLIC ACID BINDING SITE. PROTEIN SCI. V. 6 834 1997
Ligand
Ligand Chain:Residue Validity Ligand Warnings Binding Data NGL Viewer Molecular Weight (Da) Formula SMILES
MLT A:468;
B:468;
Valid;
Valid;
none;
none;
submit data
134.087 C4 H6 O5 C([C@...
View in 3D viewer
90% Homology Family
Leader
PDB id Resolution Class Description Source Keywords
1FUR 1.95 Å EC: 4.2.1.2 FUMARASE MUTANT H188N WITH BOUND SUBSTRATE L-MALATE AT PUTAT ACTIVATOR SITE ESCHERICHIA COLI HYDROLYASE CARBON OXYGEN LYASE KREB-prime S CYCLE ENZYME FUMARAHYDRATASE
Ref.: MUTATIONS OF FUMARASE THAT DISTINGUISH BETWEEN THE SITE AND A NEARBY DICARBOXYLIC ACID BINDING SITE. PROTEIN SCI. V. 6 834 1997
Members (4)
No: PDB id Binding Data Representative ligand Formula Smiles
The Class containing this family consists of a total of 4 families.
1 1FUQ - SIF C7 H14 O4 Si C[Si](C)(C....
2 1FUP - PMA C10 H6 O8 c1c(c(cc(c....
3 2FUS - CIT C6 H8 O7 C(C(=O)O)C....
4 1FUR - MLT C4 H6 O5 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 3 families.
1 1FUQ - SIF C7 H14 O4 Si C[Si](C)(C....
2 1FUP - PMA C10 H6 O8 c1c(c(cc(c....
3 2FUS - CIT C6 H8 O7 C(C(=O)O)C....
4 1FUR - MLT C4 H6 O5 C([C@H](C(....
5 3GTD - MLI C3 H2 O4 C(C(=O)[O-....
50% Homology Family (9)
No: PDB id Binding Data Representative ligand Formula Smiles
The Class containing this family consists of a total of 2 families.
1 1FUQ - SIF C7 H14 O4 Si C[Si](C)(C....
2 1FUP - PMA C10 H6 O8 c1c(c(cc(c....
3 2FUS - CIT C6 H8 O7 C(C(=O)O)C....
4 1FUR - MLT C4 H6 O5 C([C@H](C(....
5 5F91 Ki = 3.2 uM 5WJ C23 H26 N4 O5 S COc1ccc(cc....
6 4ADM - SRT C4 H6 O6 [C@H]([C@H....
7 4APB - FUM C4 H4 O4 C(=C/C(=O)....
8 4ADL - LMR C4 H6 O5 C([C@@H](C....
9 3GTD - MLI C3 H2 O4 C(C(=O)[O-....
Polypharmacology
Similar Ligands
Ligand no: 1; Ligand: MLT; Similar ligands found: 12
No: Ligand ECFP6 Tc MDL keys Tc
1 LMR 1 1
2 MLT 1 1
3 DMR 1 1
4 DGY 0.52381 0.818182
5 3HG 0.52381 0.761905
6 3HL 0.5 0.666667
7 3HR 0.5 0.666667
8 TRC 0.478261 0.666667
9 S2G 0.461538 0.809524
10 2HG 0.461538 0.809524
11 2RH 0.458333 0.652174
12 ICT 0.444444 0.904762
Similar Binding Sites (Proteins are less than 50% similar to leader)
Pocket No.: 1; Query (leader) PDB : 1FUR; Ligand: MLT; Similar sites found with APoc: 403
This union binding pocket(no: 1) in the query (biounit: 1fur.bio1) has 7 residues
No: Leader PDB Ligand Sequence Similarity
1 5FA6 FMN 1.07066
2 5FA6 NAP 1.07066
3 5FA6 FAD 1.07066
4 3QFS NAP 1.0917
5 3QFS FAD 1.0917
6 4D7E FAD 1.1655
7 2IID PHE 1.2848
8 2IID FAD 1.2848
9 5J5Z FAD 1.2848
10 3RNM FAD 1.2848
11 6AIN FAD 1.43541
12 2OHH FMN 1.48515
13 5VN0 NAI 1.49893
14 5VN0 FAD 1.49893
15 1H82 GZZ 1.49893
16 1QO8 FAD 1.49893
17 1H82 FAD 1.49893
18 5TTJ FAD 1.49893
19 5GXU FAD 1.49893
20 6CZ3 FLJ 1.51515
21 5LFV SIA GAL NAG 1.57729
22 2RL1 UD1 1.65094
23 5YLY FAD 1.71233
24 3E1T FAD 1.71306
25 5MBX FAD 1.71306
26 5MBX SP5 1.71306
27 3ICT FAD 1.71306
28 2CJA ATP 1.71306
29 1MO9 FAD 1.71306
30 1JS4 BGC BGC 1.71306
31 1JS4 BGC 1.71306
32 1T7Q 152 1.71306
33 1T7Q COA 1.71306
34 4PIV NDP 1.71306
35 3ICR FAD 1.71306
36 1GPE FAD 1.71306
37 3ICS FAD 1.71306
38 3NKS FAD 1.71306
39 5BUK FAD 1.77778
40 3R5W F42 1.78571
41 1VFS DCS 1.81347
42 2Q7V FAD 1.84615
43 2CND FAD 1.85185
44 4RVG TYD 1.87793
45 4RVG SAM 1.87793
46 2JLD AG1 1.90476
47 2PYW ADP 1.90476
48 2R4J FAD 1.92719
49 2R4J 13P 1.92719
50 4C3Y ANB 1.92719
51 4C3Y FAD 1.92719
52 5TS5 FAD 1.92719
53 1V5F FAD 1.92719
54 1V5F TPP 1.92719
55 5O9X G16 1.92719
56 3S5W FAD 1.94384
57 5MZI FAD 1.95228
58 5MZI FYK 1.95228
59 2YVF NAD 1.96078
60 2YVF FAD 1.96078
61 4KIB SAH 1.96078
62 3AXX CBI 1.96507
63 5GSN FAD 1.98676
64 6GAR FAD 2.00573
65 2ZIF SAM 2.0202
66 2VDV SAM 2.03252
67 5A9A UTP 2.05761
68 5USZ SKE 2.07612
69 5JDI NAP 2.08333
70 5JDC NAP 2.08333
71 5JCJ NAP 2.08333
72 5K6A NAP 2.08333
73 3JQG NAP 2.08333
74 3JQ8 NAP 2.08333
75 3JQA NAP 2.08333
76 3BMN NAP 2.08333
77 4CLR NAP 2.08333
78 3JQF NAP 2.08333
79 3BMO NAP 2.08333
80 4CM4 NAP 2.08333
81 4CLO NAP 2.08333
82 4CMI NAP 2.08333
83 3JQB NAP 2.08333
84 3JQ7 NAP 2.08333
85 3BMQ NAP 2.08333
86 3JQ9 NAP 2.08333
87 4CME NAP 2.08333
88 4CM8 NAP 2.08333
89 1D4D FAD 2.14133
90 2HQM FAD 2.14133
91 5WS9 AMP 2.14133
92 3KJS NAP 2.14133
93 4DV8 0LX 2.14133
94 5JVB 2PO 2.14286
95 4EHU ANP 2.17391
96 1XHC FAD 2.17984
97 4WOV 3SM 2.2082
98 3W2E FAD 2.21402
99 3W2E NAD 2.21402
100 4USR FAD 2.21607
101 2WD7 NAP 2.23881
102 3F7Z 34O 2.28571
103 3GF4 UPG 2.30769
104 3GF4 FAD 2.30769
105 2BSA FAD 2.31023
106 2BSA NAP 2.31023
107 4J4H 1J1 2.3166
108 4J4H NAI 2.3166
109 3A25 SAM 2.32558
110 3CGD NAD 2.35546
111 2VVL FAD 2.35546
112 3CGD FAD 2.35546
113 2VVM FAD 2.35546
114 3IHG FAD 2.35546
115 2YG3 FAD 2.35546
116 3CGD COA 2.35546
117 5IE3 AMP 2.35546
118 5IE3 OXD 2.35546
119 4IP7 FBP 2.35546
120 3DMH SAM 2.3622
121 3DMH GMP 2.3622
122 4M73 M72 2.37389
123 4M73 SAH 2.37389
124 2EJU SAH 2.38095
125 4YVZ 3AT 2.38727
126 3H8V ATP 2.39726
127 3L9W GSH 2.42131
128 5FAG PPI 2.43902
129 5TUK FAD 2.45098
130 3FPZ AHZ 2.45399
131 1ZQ9 SAM 2.45614
132 5L01 6Z4 2.47748
133 2VAT COA 2.47748
134 4O67 1SY 2.47934
135 3AB1 FAD 2.5
136 4FZV SAM 2.51046
137 2Y6Q FAD 2.51256
138 1DL5 SAH 2.52366
139 5MU6 MYA 2.55754
140 5MU6 KFK 2.55754
141 1UWK NAD 2.56959
142 1UWK URO 2.56959
143 2CXG GLC G6D ACI GLC 2.56959
144 4LWA Q13 2.56959
145 2B9W FAD 2.59434
146 4REP FAD 2.62626
147 3WLE NAD 2.6393
148 5Z2F NAP 2.64151
149 1N2X SAM 2.65781
150 3TLJ SAH 2.68097
151 1RPN NDP 2.68657
152 5CFT APC 2.7027
153 5CFT 51G 2.7027
154 5XQL C2E 2.74914
155 2CFD R4A 2.78373
156 4AMV F6R 2.78373
157 5CX6 CDP 2.78373
158 1RP0 AHZ 2.8169
159 1JAY F42 2.83019
160 1N7G NDP 2.88714
161 1N7G GDR 2.88714
162 5E72 SAM 2.89017
163 2YCH ATP 2.91777
164 4MFZ MFK 2.94985
165 1UDB NAD 2.95858
166 1UDB UFG 2.95858
167 4B7X NAP 2.97619
168 4BHN BH9 2.99401
169 3OJO NAD 2.99786
170 1R18 SAH 3.0837
171 1E5Q NDP 3.11111
172 5UR0 NAD 3.15186
173 5I39 FAD 3.18627
174 6F97 FAD 3.21199
175 1DY4 SNP 3.21199
176 3X27 TRP 3.21199
177 3TYZ XHP 3.21429
178 3TYZ PAB 3.21429
179 3QJ4 FAD 3.21637
180 3OZV FAD 3.22581
181 3OZV ECN 3.22581
182 1MOQ GLP 3.26087
183 2YX1 SFG 3.27381
184 6BC3 SIS 3.31126
185 6BC3 COA 3.31126
186 4KYQ FLC 3.36538
187 5ZZ6 ADP 3.36538
188 6E2O S0L 3.38983
189 1S8F GDP 3.38983
190 1RYI FAD 3.40314
191 1RYI GOA 3.40314
192 3NYC IAR 3.41207
193 3NYC FAD 3.41207
194 1YQZ FAD 3.42466
195 2BRY FAD 3.42612
196 3X0V FAD 3.42612
197 4YKG NAD 3.42612
198 1V7Z CRN 3.46154
199 1E1M FAD 3.47826
200 1E1M NAP 3.47826
201 3N8K D1X 3.48837
202 3VCY UD1 3.48837
203 4OAR 2S0 3.48837
204 2AF6 BRU 3.48837
205 4POO SAM 3.5
206 1GAW FAD 3.50318
207 1YY5 FAD 3.50877
208 3VSE SAH 3.51759
209 5A7Y SAH 3.52564
210 5VFC 9BA 3.53698
211 5J6D 6H5 3.58306
212 1RSG FAD 3.64026
213 4YDD MD1 3.64026
214 4YDD MGD 3.64026
215 5DX8 SFG 3.72493
216 5DWQ SFG 3.72493
217 1O7Q UDP 3.80623
218 4CFP NAG AMU NAG AMV 3.81232
219 1YKJ FAD 3.85439
220 1X87 NAD 3.85439
221 4DOE CT3 3.85439
222 4O4K 2PK 3.85439
223 6A0S NDP 3.91566
224 6A0S HSE 3.91566
225 5LV1 78T 3.92857
226 4IWN GEK 3.93013
227 5N5D SAM 3.9823
228 3G89 SAM 4.01606
229 4FMS BDP 4.03023
230 4LOC BTN 4.06852
231 1IM8 SAI 4.09836
232 2XB8 XNW 4.10959
233 1LVL NAD 4.14847
234 2A14 SAH 4.18251
235 1WG8 SAM 4.21053
236 2PZM NAD 4.24242
237 2PZM UDP 4.24242
238 4YUW S4M 4.27632
239 4YUW 4JU 4.27632
240 3OZ2 FAD 4.28212
241 4YDQ HFG 4.28266
242 4YDQ ANP 4.28266
243 4XQC NAD 4.28266
244 2FKF G16 4.329
245 5MPT SAH 4.34783
246 2FWP ICR 4.37158
247 2FWP CIT 4.37158
248 4M37 SAH 4.37318
249 1JQ3 AAT 4.39189
250 1V59 NAD 4.39331
251 5ZJ5 NAI 4.49679
252 1DSS NAD 4.5045
253 4I54 1C1 4.53258
254 4X9M FAD 4.54545
255 1QFY FAD 4.54545
256 1QFY NAP 4.54545
257 1LCK GLU GLY GLN PTR GLN PRO GLN PRO ALA 4.57143
258 1X9I G6Q 4.63576
259 4R6W SAH 4.65116
260 4R6W PC 4.65116
261 5JCM FAD 4.65632
262 5JCM ISD 4.65632
263 5JCM NAD 4.65632
264 1GET FAD 4.66667
265 1GET NAP 4.66667
266 3G2O SAM 4.68227
267 1E6E FAD 4.6875
268 3HQP FDP 4.71092
269 1XX6 ADP 4.71204
270 1Y8Q ATP 4.91329
271 1Q9I FAD 4.92505
272 1Q9I TEO 4.92505
273 1REO FAD 4.92505
274 5U8U FAD 4.92505
275 5TDF 7A3 4.93827
276 2RGO FAD 4.94234
277 1RSD PSB 4.95868
278 4NTM 2K8 4.95868
279 5T67 SAH 5.04808
280 5T67 JHZ 5.04808
281 6EMU SAM 5.07614
282 4UYE 9F9 5.08475
283 4HJY NAG NAG NAG 5.33981
284 3AD8 NAD 5.35332
285 3FPF TNA 5.35332
286 3FPF MTA 5.35332
287 4EMI NAD 5.35332
288 5OGX FAD 5.35714
289 4ZRN NAD 5.44872
290 4ZRN UPG 5.44872
291 5B2E MQG 5.51471
292 5THQ NDP 5.51471
293 1V0O INR 5.55556
294 2A0S BIO 5.55556
295 2O07 SPD 5.59211
296 2O07 MTA 5.59211
297 3N0S ACO 5.59701
298 1HFS L04 5.625
299 5J60 FAD 5.625
300 3PE2 E1B 5.63798
301 3V1Y NAD 5.63798
302 4K5S FAD 5.78158
303 4XZ3 COA 5.81897
304 3T1A 5MA 5.86146
305 3HRD MCN 5.88235
306 5UAV TFB 5.90062
307 5UAV NDP 5.90062
308 1F06 NDP 5.9375
309 1F06 2NP 5.9375
310 1JG3 ADN 5.95745
311 4DSG UDP 5.99572
312 4DSG FAD 5.99572
313 3H9E NAD 6.06936
314 3BY9 SIN 6.15385
315 5Y6Q MCN 6.17284
316 3WBF API 6.22951
317 4USQ FAD 6.37119
318 1LSS NAD 6.42857
319 1O44 852 6.48148
320 5D63 FUC GAL GLA 6.48464
321 1GTE FAD 6.63812
322 2IVD FAD 6.63812
323 1G8K MGD 6.76692
324 3HVJ 705 6.78733
325 1T57 FMN 6.79612
326 2POC BG6 6.85225
327 4WK1 2BA 6.97674
328 3A27 SAM 6.98529
329 5L2M 6ZY 7.06638
330 5Y8L NAD 7.11864
331 5Y8L HUI 7.11864
332 3EGI ADP 7.28155
333 5ZI9 FLC 7.30769
334 4NTC FAD 7.46269
335 6ECT SAM 7.49465
336 3MJY FMN 7.51445
337 3MJY IJZ 7.51445
338 5MIT NAP 7.64526
339 5MIT FAD 7.64526
340 4RLE 2BA 7.69231
341 4YSX FAD 7.69231
342 1DCP HBI 7.69231
343 2BZG SAH 7.75862
344 2FP2 TSA 7.83133
345 3RFV 15L 7.86517
346 3RFV NAI 7.86517
347 6F7L FAD 7.91855
348 4YRY NAD 7.97101
349 4YRY FAD 7.97101
350 1QXO FMN 7.98969
351 5W7K SAH 8.01282
352 3X1M COA 8.1761
353 5N6C NAD 8.33333
354 1KDO C 8.37004
355 3H2B SAH 8.37438
356 2DT9 THR 8.38323
357 6HOY TSN 8.60927
358 6HOY AR6 8.60927
359 3C6K MTA 8.66142
360 3C6K SPD 8.66142
361 2CWH PYC 8.74636
362 2CWH NDP 8.74636
363 6FHO FAD 8.77193
364 2CJF RP4 8.9172
365 4OPC PGT 8.99358
366 2PT9 2MH 9.03427
367 2PT9 S4M 9.03427
368 3A4T SFG 9.12409
369 1I1N SAH 9.29204
370 1JYQ MAZ PTR PTM ASN 9.375
371 2E7Z MGD 9.42184
372 1ORR NAD 9.51009
373 3GDH SAH 9.54357
374 2FTB OLA 9.6
375 3SMA ACO 9.79021
376 2NXE SAM 9.84252
377 3BGD SAH 10
378 3BGD PM6 10
379 3CIF NAD 10.0279
380 3CIF G3H 10.0279
381 2I7C AAT 10.2473
382 6ACS CIT 10.4651
383 5ODQ FAD 11.1349
384 5O2J 2PO 11.7216
385 2GAG NAD 11.8519
386 6BQ6 TER 12.3867
387 4BV6 FAD 12.4197
388 3C3N FMN 12.5
389 3FUU ADN 12.5461
390 2AG8 NAP 12.5475
391 3VBK COA 12.6829
392 3VBK 0FX 12.6829
393 1I8T FAD 12.8065
394 5N53 8NB 12.8205
395 4WKB TDI 13.1148
396 2PTR 2SA 15.8009
397 1TU3 GNP 16.3743
398 2YVJ NAI 17.4312
399 4M38 SAH 23.8095
400 6G3F FUM 24.8394
401 3MTX PGT 25.8278
402 2F5Z FAD 28.125
403 5L95 AMP 35
Pocket No.: 2; Query (leader) PDB : 1FUR; Ligand: MLT; 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: 1fur.bio1) has 7 residues
No: Leader PDB Ligand Sequence Similarity
Pocket No.: 3; Query (leader) PDB : 1FUR; Ligand: MLT; Similar sites found with APoc: 5
This union binding pocket(no: 3) in the query (biounit: 1fur.bio1) has 21 residues
No: Leader PDB Ligand Sequence Similarity
1 3WYW GSH 1.38889
2 1JLV GSH 2.87081
3 3GVL SLB 4.28266
4 5ZWP GSH 4.32692
5 1AXD GGL CYW GLY 5.74163
Pocket No.: 4; Query (leader) PDB : 1FUR; Ligand: MLT; Similar sites found with APoc: No similar binding sites found, or similarity not calculated due to duplicate pocket.
This union binding pocket(no: 4) in the query (biounit: 1fur.bio1) has 21 residues
No: Leader PDB Ligand Sequence Similarity
APoc FAQ
Feedback