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Receptor
PDB id Resolution Class Description Source Keywords
5L2R 2.05 Å EC: 4.2.1.2 CRYSTAL STRUCTURE OF FUMARATE HYDRATASE FROM LEISHMANIA MAJO LEISHMANIA MAJOR FUMARATE HYDRATASE FE-S CLUSTER LYASE
Ref.: CRYSTAL STRUCTURE OF AN FE-S CLUSTER-CONTAINING FUM HYDRATASE ENZYME FROM LEISHMANIA MAJOR REVEALS A UN PROTEIN FOLD. PROC.NATL.ACAD.SCI.USA V. 113 9804 2016
Ligand
Ligand Chain:Residue Validity Ligand Warnings Binding Data NGL Viewer Molecular Weight (Da) Formula SMILES
LMR B:602;
B:601;
A:601;
A:602;
Valid;
Valid;
Valid;
Valid;
none;
none;
none;
none;
ic50 = 9.8 mM
134.087 C4 H6 O5 C([C@...
MLA B:603;
A:604;
B:604;
A:603;
Valid;
Valid;
Valid;
Valid;
none;
none;
none;
none;
submit data
104.061 C3 H4 O4 C(C(=...
GOL B:608;
B:605;
B:609;
B:606;
A:605;
A:606;
A:607;
B:607;
Invalid;
Invalid;
Invalid;
Invalid;
Invalid;
Invalid;
Invalid;
Invalid;
none;
none;
none;
none;
none;
none;
none;
none;
submit data
92.094 C3 H8 O3 C(C(C...
SF4 B:611;
A:608;
Part of Protein;
Part of Protein;
none;
none;
submit data
351.64 Fe4 S4 [S]12...
PEG B:610;
Invalid;
none;
submit data
106.12 C4 H10 O3 C(COC...
View in 3D viewer
90% Homology Family
Leader
PDB id Resolution Class Description Source Keywords
5L2R 2.05 Å EC: 4.2.1.2 CRYSTAL STRUCTURE OF FUMARATE HYDRATASE FROM LEISHMANIA MAJO LEISHMANIA MAJOR FUMARATE HYDRATASE FE-S CLUSTER LYASE
Ref.: CRYSTAL STRUCTURE OF AN FE-S CLUSTER-CONTAINING FUM HYDRATASE ENZYME FROM LEISHMANIA MAJOR REVEALS A UN PROTEIN FOLD. PROC.NATL.ACAD.SCI.USA V. 113 9804 2016
Members (1)
No: PDB id Binding Data Representative ligand Formula Smiles
The Class containing this family consists of a total of 4 families.
1 5L2R ic50 = 9.8 mM LMR C4 H6 O5 C([C@@H](C....
70% Homology Family (1)
No: PDB id Binding Data Representative ligand Formula Smiles
The Class containing this family consists of a total of 3 families.
1 5L2R ic50 = 9.8 mM LMR C4 H6 O5 C([C@@H](C....
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 5L2R ic50 = 9.8 mM LMR C4 H6 O5 C([C@@H](C....
Polypharmacology
Similar Ligands
Ligand no: 1; Ligand: LMR; 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
Ligand no: 2; Ligand: MLA; Similar ligands found: 7
No: Ligand ECFP6 Tc MDL keys Tc
1 MLA 1 1
2 AAE 0.6 0.631579
3 3OH 0.533333 0.619048
4 SIN 0.5 0.722222
5 98J 0.428571 0.608696
6 GUA 0.411765 0.65
7 0L1 0.411765 0.619048
Similar Binding Sites (Proteins are less than 50% similar to leader)
Pocket No.: 1; Query (leader) PDB : 5L2R; Ligand: MLA; Similar sites found with APoc: 675
This union binding pocket(no: 1) in the query (biounit: 5l2r.bio1) has 10 residues
No: Leader PDB Ligand Sequence Similarity
1 3IWD M2T None
2 1UO5 PIH None
3 4WG0 CHD None
4 4Z87 GDP 0.952381
5 1TIW TFB 0.996678
6 1TIW FAD 0.996678
7 2H7C COA 1.10701
8 5N9X 8QN 1.13422
9 6C1S EFV 1.15894
10 3GFZ C2E 1.21065
11 4ONA UW1 1.23967
12 1W96 S1A 1.26354
13 2XIQ MLC 1.3245
14 2XCG XCG 1.34615
15 3RHJ NAP 1.35397
16 5VC5 96M 1.38408
17 3VHE 42Q 1.39276
18 3DCJ THH 1.39535
19 2IV2 MGD 1.49007
20 3OZ2 OZ2 1.51134
21 6E08 NAP 1.5534
22 3TDV GDP 1.63399
23 4RVG TYD 1.64319
24 4RVG SAM 1.64319
25 2OBD 2OB 1.68067
26 4BG4 ADP 1.68539
27 2VL1 GLY GLY 1.68776
28 1IHU AF3 1.69779
29 1IHU ADP 1.69779
30 1GNI OLA 1.7094
31 5UCD NAP 1.75055
32 5UGH 8AJ 1.76322
33 5UQK U2F 1.79211
34 4WHZ 3NL 1.81818
35 2RKV ZBA 1.82119
36 5KF6 NAD 1.82119
37 5KF6 FAD 1.82119
38 5KF6 TFB 1.82119
39 2JHP SAH 1.82119
40 5A3T MMK 1.8711
41 4A62 ANP 1.875
42 3G5N PB2 1.89076
43 3HKW IX6 1.89329
44 5U3F 7TS 1.90217
45 2JLD AG1 1.90476
46 5T67 JHZ 1.92308
47 5T67 SAH 1.92308
48 4UX9 ANP 1.92308
49 3CXO 1N5 1.92771
50 1UNB PN1 1.92926
51 1UNB AKG 1.92926
52 4MIB 28M 1.92982
53 5FJN BE2 1.97368
54 2QK4 ATP 1.99115
55 1PHK ATP 2.01342
56 4XP7 FNR 2.02312
57 2E56 MYR 2.08333
58 2YAK OSV 2.10526
59 5KO1 6UY 2.12014
60 1AJ0 PH2 2.12766
61 1AJ0 SAN 2.12766
62 4YWV SSN 2.15054
63 5AXH GLC GLC GLC GLC 2.15232
64 4O8A FAD 2.15232
65 5HGR 45D 2.15385
66 3W9Z FMN 2.17391
67 4C5N ACP 2.17391
68 3GD9 GLC BGC BGC BGC 2.17984
69 2YC5 6BC 2.19298
70 6ES0 BW8 2.2082
71 3JRX S1A 2.21465
72 3E7O 35F 2.22222
73 4B0T ADP 2.23124
74 2VZ6 FEF 2.23642
75 1Z03 OCH 2.24215
76 1P19 IMP 2.26244
77 1W2D ADP 2.26415
78 1W2D 4IP 2.26415
79 5TS5 FAD 2.27273
80 4I6H 1C8 2.27273
81 1F9V ADP 2.30548
82 4I8P NAD 2.30769
83 2ZYI STE 2.31579
84 6MVU K4V 2.31788
85 3NT6 COA 2.31788
86 5L13 6ZE 2.32108
87 5DEP UD1 2.32558
88 2BJK NAD 2.32558
89 3GD4 FAD 2.34834
90 3HZT J60 2.35546
91 3A7R LAQ 2.37389
92 3I73 ADP 2.38095
93 3VZ3 NAP 2.407
94 3VZ3 SSN 2.407
95 2OWZ F6P 2.40964
96 4RD0 GDP 2.40964
97 2Q8M FBP 2.40964
98 3AJH BL3 2.41935
99 6EXF LYS 2.41935
100 5IVE 6E8 2.42424
101 2H8H H8H 2.42991
102 3W54 RNB 2.43161
103 4DQ2 BTX 2.43902
104 4IEN GDP 2.45399
105 3GZ8 APR 2.46914
106 3RGA LSB 2.4735
107 4EIL FOL 2.4735
108 3NTD COA 2.47788
109 4CU1 H4B 2.48307
110 4CFT H4B 2.48307
111 1EYE PMM 2.5
112 6G0X RAM GLC GLA NAG NDG NAG 2.50417
113 4I9B NAD 2.51451
114 6E1Q CFA 2.52101
115 3DOO SKM 2.52708
116 1SDW IYT 2.54777
117 6F9Q NAD 2.57353
118 4NOS H4B 2.57611
119 3IWJ NAD 2.58449
120 3TTI KBI 2.58621
121 4GCZ FMN 2.5974
122 4AAW R84 2.61438
123 3RUU 37G 2.62009
124 4A0M NAD 2.62097
125 4GLW 0XT 2.62295
126 1U6R ADP 2.63158
127 2J7T 274 2.64901
128 5J75 6GQ 2.65152
129 4I3V NAD 2.66393
130 2GU8 796 2.67062
131 2OHH FMN 2.72277
132 1R6T TYM 2.72537
133 3NKS ACJ 2.72537
134 4OE4 NAD 2.75862
135 2RIO ADP 2.76498
136 5OX6 A1Z 2.77778
137 3AJ6 NGA 2.7972
138 6FK3 PPI 2.79851
139 5FI3 NAP 2.80112
140 2Z3U CRR 2.82353
141 6FUL E7Z 2.82486
142 2B9I ADP 2.83286
143 1YKF NAP 2.84091
144 3T1A 5MA 2.84192
145 3VRY B43 2.86344
146 1T90 NAD 2.88066
147 5X8G S0N 2.8866
148 5JKG 6LF 2.89389
149 6D6L FY4 2.94118
150 6EWZ APC 2.95359
151 1KRR ACO 2.95567
152 1BC5 SAH 2.97398
153 1R6U TYM 2.97483
154 6CC0 EWM 2.98013
155 3NTA COA 2.98013
156 3OYZ ACO 2.98013
157 1T5B FMN 2.98507
158 4RHY 3QG 2.98507
159 2ORV 4TA 2.99145
160 4DXD 9PC 3.0303
161 2GVJ DGB 3.05499
162 2WME NAP 3.06122
163 3LN0 52B 3.06644
164 2WOX NDP 3.06748
165 5YJS SAL 3.07692
166 2AGC DAO 3.08642
167 3N7O N7O 3.09735
168 4R6W SAH 3.10078
169 5OES ADP 3.10559
170 2PT9 S4M 3.11526
171 2PT9 2MH 3.11526
172 2BMB PMM 3.11927
173 4FG8 ATP 3.1746
174 1LQA NDP 3.17919
175 5DYO FLU 3.21101
176 1K7U NAG NAG 3.22581
177 4ZDJ UTP 3.2368
178 6APV 3L4 3.24074
179 4XMF HSM 3.26087
180 4LXQ TYD 3.28467
181 4LXQ FON 3.28467
182 6BXI ANP 3.3033
183 4NMC 2OP 3.31126
184 4NMC FAD 3.31126
185 4ZVV GN0 3.31325
186 4ZVV NAD 3.31325
187 3JZ4 NAP 3.3264
188 4G31 0WH 3.34448
189 4B2Z P5S 3.34821
190 3ACL 3F1 3.37838
191 1JQN DCO 3.39751
192 6B5G CQY 3.44828
193 6B5G NAD 3.44828
194 3IES M24 3.44828
195 5DJT FMN 3.44828
196 1V3S ATP 3.44828
197 5X8I SQZ 3.46821
198 5JSD ACY 1GN GAL 1GN BGC ACY GAL BGC 3.47682
199 3AWJ COA 3.48259
200 4A22 TD4 3.48837
201 3GC8 B45 3.51351
202 2XXP DSL 3.51759
203 4H6Q TFB 3.52564
204 3LDW ZOL 3.53535
205 1RJW ETF 3.53982
206 4QMN DB8 3.54839
207 3PP0 03Q 3.5503
208 3TYZ XHP 3.57143
209 3TYZ PAB 3.57143
210 2QE0 NAP 3.57895
211 4IXH IMP 3.60111
212 1JJE BYS 3.6036
213 3TWD GOB 3.6036
214 4L3L 5FI 3.61842
215 1A8R GTP 3.61991
216 3DLG GWE 3.63636
217 4K79 GAL A2G 3.63636
218 12AS AMP 3.63636
219 3HAZ NAD 3.64238
220 3B00 16A 3.67647
221 1VP5 NAP 3.69128
222 1IZE IVA VAL VAL STA ALA STA 3.71517
223 3L8W XAN 3.71622
224 4LH0 GLV 3.73002
225 5H2U 1N1 3.74532
226 5XVG 8FX 3.75427
227 5FLJ QUE 3.76344
228 1E1O LYS 3.76984
229 2PR5 FMN 3.78788
230 3QJ4 FAD 3.80117
231 4FHD 0TT 3.80435
232 4FHD EEM 3.80435
233 4XPQ FUL 3.80795
234 6EJ7 UDX 3.80795
235 5Y9D FAD 3.80795
236 5IUW IAC 3.82294
237 5IUW NAD 3.82294
238 4H3Q ANP 3.8674
239 2Z6C FMN 3.87597
240 3GNP SOG 3.89344
241 5XDT ZI7 3.8961
242 5XDT MB3 3.8961
243 1F5F DHT 3.90244
244 4PZ2 NAD 3.93258
245 4QTB 38Z 3.94737
246 5E3Q SCA 3.97351
247 4EWH T77 4
248 5UIU 8CG 4.02477
249 3CV6 NAP 4.02477
250 5YGF ASP GLN GLY ARG GLY ARG ARG ARG PRO 4.03587
251 3RUG DB6 4.0404
252 3G08 FEE 4.0404
253 3FP0 FP0 4.04624
254 3X01 AMP 4.07125
255 3AQT RCO 4.08163
256 5UXH GFB 4.08719
257 1J0D 5PA 4.10557
258 3O0Q GDP 4.13907
259 3O0Q ADN 4.13907
260 3O0Q TTP 4.13907
261 4QAC KK3 4.14747
262 1BZY IMU 4.14747
263 5DQ8 FLF 4.16667
264 5O3Q CMP 4.16667
265 6G9I CXX 4.16667
266 2IMP NAI 4.17537
267 1Q0H FOM 4.18719
268 1Q0H NDP 4.18719
269 1KY8 NAP 4.19162
270 2J3M ATP 4.1958
271 2J3M PRI 4.1958
272 4MOB COA 4.21687
273 5F2T PLM 4.22078
274 2ZMF CMP 4.2328
275 4IAE 1DX 4.2328
276 1Y3A GDP 4.25532
277 4NS3 NAD 4.26288
278 3OQJ 3CX 4.28016
279 1MQ0 BRD 4.28571
280 2OFV 242 4.33213
281 5A5W GUO 4.34783
282 5AYT L6Y 4.40252
283 1MJJ HAL 4.40529
284 5BNS 4VM 4.4164
285 4ITH RCM 4.42177
286 1CTU ZEB 4.42177
287 6GNO XDI 4.44444
288 5JGA 6KC 4.44444
289 2VEG PMM 4.4586
290 2Y6O 1N1 4.46735
291 6F68 4EU 4.47154
292 4ZUL UN1 4.48343
293 5A89 FMN 4.48718
294 5A89 ADP 4.48718
295 1YEJ PNF 4.5045
296 4I9A NCN 4.51389
297 4TX6 38B 4.51613
298 5HCY 60D 4.53172
299 3G5D 1N1 4.54545
300 3TTZ 07N 4.54545
301 1Q23 FUA 4.56621
302 2HFN FMN 4.57516
303 5TPV TYD 4.57516
304 1CM8 ANP 4.63215
305 5KR7 6X9 4.63215
306 3VSV XYP 4.63576
307 4GGL CJC 4.65116
308 1MI3 NAD 4.65839
309 3E9I XAH 4.66531
310 4TQK NAG 4.6798
311 1WPY BTN 4.68085
312 5AG3 3EB 4.70588
313 1P0H ACO 4.71698
314 1P0H COA 4.71698
315 4WUJ FMN 4.7619
316 1XMV ADP 4.77528
317 4BVA T3 4.77612
318 4BVA NDP 4.77612
319 4X7G NAP 4.78088
320 4XYM A12 4.78261
321 4XZ3 ACP 4.78261
322 6FDF SAH 4.79042
323 4TWP AXI 4.79705
324 4X3R 686 4.80132
325 4ASE AV9 4.81586
326 1XKD ICT 4.82759
327 4KBA 1QM 4.83384
328 5W4W 9WG 4.83384
329 5A5D 5LC 4.84429
330 3EWK FAD 4.84582
331 5N5S NAP 4.85437
332 3AMN CBI 4.90566
333 3AMN CBK 4.90566
334 3RZ3 U94 4.91803
335 2GJ5 VD3 4.93827
336 2ART LPA AMP 4.96183
337 2ODE ALF GDP 4.96454
338 5H5F SAM 4.96689
339 5IXH OTP 4.96894
340 2XK9 XK9 4.96894
341 3QH2 3NM 4.97738
342 6GIN IR2 4.98339
343 4LOO SB4 4.98615
344 2GJ3 FAD 5
345 4NAT 2W5 5
346 4NAT ADP 5
347 5TVA COA 5
348 2WOE AR6 5.01672
349 2F9L GDP 5.02513
350 1M15 ADP 5.04202
351 1M15 ARG 5.04202
352 1IDA 0PO 5.05051
353 1WUB OTP 5.05618
354 4R3U 3HC 5.06329
355 4R3U 3KK 5.06329
356 3FC2 IBI 5.07463
357 5GVH FMN 5.09554
358 2DXU BT5 5.10638
359 1MGP PLM 5.11182
360 2ZFU SAH 5.11628
361 1S4M LUM 5.11945
362 5JFL NAD 5.13245
363 1C5C TK4 5.14019
364 1X7D ORN 5.14286
365 2WQP WQP 5.15759
366 1Y0G 8PP 5.2356
367 1DQX BMP 5.24345
368 1O94 AMP 5.30303
369 4NG2 OHN 5.30973
370 1YKJ FAD 5.32995
371 1YKJ PHB 5.32995
372 1VPV PLM 5.33333
373 1M5W DXP 5.34979
374 5TUF TDC 5.37897
375 5TUF FAD 5.37897
376 4AG8 AXI 5.37975
377 4JD3 PLM 5.38244
378 4JD3 COA 5.38244
379 5V1B 8UY 5.41667
380 3HVJ 705 5.42986
381 4Q3R XA2 5.45455
382 3LXK MI1 5.46358
383 5O1I 9GH 5.47945
384 1GOT GDP 5.47945
385 5EXW 7DT 5.5
386 4NFN 2KC 5.50162
387 3TCT 3MI 5.51181
388 5HES 032 5.53746
389 4XTX 590 5.55556
390 4IGQ THR M3L GLN 5.55556
391 5VE5 GSH 5.57029
392 5MJA 7O3 5.57377
393 3SXS PP2 5.59701
394 1G2O IMH 5.59701
395 2XVD AS6 5.62914
396 4RKS MEV 5.63798
397 1LSH PLD 5.64263
398 3VX3 ADP 5.64516
399 5OM2 DXT 5.69106
400 5DH3 5BS 5.71429
401 1BGQ RDC 5.77778
402 1O9J NAD 5.78842
403 6GQM F8H 5.79268
404 2VSS ACO 5.7971
405 2VSU ACO 5.81818
406 2I0G I0G 5.83658
407 3VBK COA 5.85366
408 3VBK 0FX 5.85366
409 1VJY 460 5.94059
410 6MPT C30 5.94406
411 6GWR FEW 5.96026
412 3G2O SAM 6.02007
413 4ZLU ADP 6.04027
414 4ZLU 4PW 6.04027
415 4G17 0VN 6.06061
416 5VL2 9EG 6.06061
417 3UH0 TSB 6.08696
418 3TAY MN0 6.13497
419 5CYV WCA 6.16438
420 3B4Y F42 6.17978
421 6CLV 6MB 6.18557
422 3TKI S25 6.19195
423 2YJD YJD 6.25
424 3OLL EST 6.25
425 5VM0 9EG 6.25
426 1X0P FAD 6.29371
427 1KGI T4A 6.29921
428 2F2G HMH 6.33484
429 2Q4X HMH 6.33484
430 1SSQ CYS 6.36704
431 2GJ8 ALF GDP 6.39535
432 5THY SAH 6.41975
433 5THZ SAH 6.41975
434 3EFS BTN 6.43777
435 1V5Y 4HC 6.45161
436 1V5Y FMN 6.45161
437 2EV9 SKM 6.46388
438 1XVB BHL 6.47059
439 2YKL NLD 6.48148
440 2IVD FAD 6.48536
441 5NKB 8ZT 6.53595
442 1HXD BTN 6.54206
443 4PGK Y69 6.55738
444 2YBP 2HG 6.56168
445 2OS2 OGA 6.56168
446 5L2M 6ZY 6.58683
447 4LAE NAP 6.58683
448 4LAE 1VM 6.58683
449 2BYS LOB 6.60793
450 2HK5 1BM 6.66667
451 2BS5 BGC GAL FUC 6.66667
452 4X6F 3XU 6.66667
453 1W4R TTP 6.66667
454 1D5Z ACE ALC ARG ALA ODA SER LEU NH2 6.69456
455 5VJE GOS 6.70391
456 1Y7P RIP 6.72646
457 5Z75 NAD 6.72783
458 2Y5D NAP 6.74157
459 5LUN OGA 6.81818
460 5LUN ARG 6.81818
461 5NJI 8Z2 6.8323
462 5YRV 5AD 6.85921
463 2QIA U20 6.87023
464 5MW4 5JU 6.88623
465 3R96 AMP 6.91489
466 3R96 ACO 6.91489
467 1SU2 ATP 6.91824
468 5IF4 6AK 6.91824
469 1SG4 CO8 6.92308
470 5F3I 5UJ 6.94444
471 3H7R NAP 6.94864
472 4IBF 1D5 6.97674
473 4D52 GIV 6.98413
474 4D52 GXL 6.98413
475 4N02 FNR 7.0028
476 3T50 FMN 7.03125
477 1J2Z SOG 7.03704
478 3H22 B53 7.07071
479 2P5B OGA 7.10227
480 2Q8E OGA 7.10227
481 4F7E 0SH 7.14286
482 2Y5S 78H 7.14286
483 5KVA SAM 7.19424
484 2C49 ADN 7.28477
485 4YUW S4M 7.28477
486 4YUW 4JU 7.28477
487 5SVV FMN 7.29927
488 4ZDC CO8 7.33333
489 2G37 FAD 7.33945
490 4XJC TTP 7.34463
491 3L9R L9Q 7.42049
492 3L9R L9R 7.42049
493 5Y4R C2E 7.48299
494 1QCA FUA 7.51174
495 1GT4 UNA 7.54717
496 4MNS 2AX 7.54717
497 5ZCM NDP DTT 7.62463
498 1UYY BGC BGC 7.63359
499 5LXT GTP 7.64045
500 5EYP LOC 7.64045
501 5HWV MBN 7.69231
502 1JCM 137 7.72201
503 4S1D 41M 7.72727
504 3ACC 5GP 7.73481
505 4PXL NAD 7.73694
506 5TZ6 7OD 7.79221
507 5MZI FAD 7.80911
508 5MZI FYK 7.80911
509 5HV0 AKG 7.8341
510 2XQQ SAC ARG GLY THR GLN THR GLU 7.86517
511 6E2B PT7 7.89474
512 5DRB 5FJ 7.90378
513 2AG4 OLA 7.92683
514 2AG4 LP3 7.92683
515 4HKP 16B 8.01282
516 4HKP TKW 8.01282
517 1YF4 CYS TYR PHE GLN ASN CYS PRO ARG GLY NH2 8.07175
518 5OF1 SAL 8.09524
519 3ILR SGN IXD 8.10811
520 3VYW SAM 8.11688
521 3ETH ATP 8.16901
522 2PFC PLM 8.19672
523 4WO4 JLS 8.21256
524 1DZK PRZ 8.28025
525 1B1C FMN 8.28729
526 2BJ4 OHT 8.33333
527 5EPL 5R0 PHE ALA LEU ELY 5R5 8.33333
528 4CSV STI 8.36364
529 3IAL PR8 8.44371
530 5VJN IR8 8.55615
531 5VJN ADE 8.55615
532 3CBC DBS 8.58586
533 5N5U 7N8 8.59873
534 3FSY SCA 8.60927
535 1LNX URI 8.64198
536 6ALW BMJ 8.68056
537 6ALW BNV 8.68056
538 3O0G 3O0 8.72483
539 2RDE C2E 8.76494
540 5GWX SAR 8.80282
541 5GWX SAM 8.80282
542 5JCA FAD 8.86076
543 5EJL C2E 8.87097
544 1Z41 FMN 8.87574
545 1CS4 GSP 8.88889
546 2G30 ALA ALA PHE 8.91473
547 1QKQ MAN 9.15493
548 2V92 AMP 9.1954
549 1QY1 PRZ 9.1954
550 4BLW AMP 9.34256
551 5D9G GLU ASN LEU TYR PHE GLN 9.34959
552 5ML3 DL3 9.39597
553 4USF 6UI 9.53947
554 3FW4 CAQ 9.55056
555 2DT9 THR 9.58084
556 2FR6 CTN 9.58904
557 3GUZ PAF 9.65909
558 4RYV ZEA 9.67742
559 3AGC RCC 9.78261
560 5FUI APY 9.84848
561 2HKA C3S 10
562 5K52 OCD 10.1887
563 3GAY P6T 10.2167
564 5NNA BZM 10.2273
565 4O9S 2RY 10.2326
566 2JKY 5GP 10.3286
567 1N07 FMN 10.4294
568 3KFF XBT 10.4938
569 3KFF ZBT 10.4938
570 4P5Z Q7M 10.5263
571 4NV7 COA 10.5769
572 4X7Q 3YR 10.5769
573 6EDK 1YA 10.5991
574 4OCX MT1 10.6481
575 1KDK DHT 10.7345
576 1T9M FMN 10.7477
577 3FYS PLM 10.7937
578 3EM0 CHD 10.8696
579 1FQJ GDP 10.8844
580 1FQK GDP 10.8844
581 2IU8 PLM 10.9626
582 4J75 TYM 11.0024
583 1RC0 KT5 11.0048
584 3FHR P4O 11.0119
585 1UWZ THU 11.0294
586 5N2D 8J8 11.1111
587 2DRC MTX 11.3208
588 4HIA FMN 11.3636
589 4WJT NAG 11.3772
590 5VNF VAL THR SER VAL VAL 11.4238
591 4J7H TLO 11.465
592 4J7H TRH 11.465
593 5B09 4MX 11.5385
594 3I3X U22 11.583
595 3GEG NAD 11.7409
596 3FGC FMN 11.831
597 5C5H 4YB 11.9205
598 5HZX 2GE 11.9318
599 3QP8 HL0 11.9565
600 2CK3 ADP 12
601 1ERB ETR 12.0219
602 3OV6 MK0 12.0907
603 2X34 UQ8 12.1547
604 5UR1 YY9 12.2186
605 2X32 OTP 12.2905
606 4H6B 10Y 12.3077
607 5ODY 9SK 12.3188
608 6FCH PRP 12.3596
609 2VQ5 HBA 12.4378
610 2VBU CDP 12.5
611 5NIU 8YZ 12.5
612 1L6O SER LEU LYS LEU MET THR THR VAL 12.6316
613 5H9P TD2 12.6582
614 5N2F 8HW 12.9032
615 2X3F APC 12.9825
616 2WLG SOP 13.0233
617 2Y8L ADP 13.8728
618 2Y8L AMP 13.8728
619 3VMG 9CA 13.913
620 1WN3 HXC 13.9706
621 2TPS TPS 14.0969
622 5TVF CGQ 14.1176
623 1KZN CBN 14.1463
624 5IXG OTP 14.2012
625 3QXV MTX 14.2857
626 2P1M IHP 14.375
627 2P1O IHP 14.375
628 2P1O NLA 14.375
629 1CLU DBG 14.4578
630 4JLS 3ZE 14.4737
631 1TT8 PHB 14.6341
632 2BLN FON 14.7541
633 6GG9 FMN 14.8148
634 3WCS MAN NAG GAL 14.9606
635 3E2M E2M 15.1351
636 4K55 H6P 15.3226
637 3FW3 ETS 15.4135
638 3NZ1 3NY 15.7088
639 4QYN RTL 15.7895
640 4KOT CE3 16.6667
641 5EZU MYR 16.8539
642 3FHI ANP 16.8831
643 5OCG 9R5 16.9312
644 5OWC AYZ 17.2131
645 3ZW2 GLA NAG GAL FUC 17.2414
646 3ZW2 NAG GAL FUC 17.2414
647 1UVC STE 17.5824
648 5WLB GNP 17.6471
649 2Z6D FMN 17.6923
650 3MTX PGT 17.8808
651 2ASF CIT 18.2482
652 1N9L FMN 18.3486
653 3KXC PLM 18.3544
654 6FA4 D1W 18.4971
655 3I9L N1C 18.9922
656 4XV1 904 19.1781
657 4R38 RBF 19.2857
658 2IYG FMN 19.3548
659 3L5R 47X 20.4918
660 4CQE CQE 20.5036
661 4BNU 9KQ 20.8178
662 4L2I FAD 21.673
663 4L2I NAD 21.673
664 2E1A MSE 22.6667
665 5LXM ADP 23.6842
666 3DZ6 M8E 23.8806
667 1I7M CG 23.8806
668 4XIZ LPP 24.2857
669 2FTB OLA 24.8
670 2FXD DR7 27.2727
671 6C8X BVR 27.2727
672 3E85 BSU 28.481
673 2HV8 GTP 31.25
674 1ZDT PEF 36.0996
675 5KY9 GDP 42.5
Pocket No.: 2; Query (leader) PDB : 5L2R; Ligand: MLA; Similar sites found with APoc: 143
This union binding pocket(no: 2) in the query (biounit: 5l2r.bio1) has 10 residues
No: Leader PDB Ligand Sequence Similarity
1 4AZW ATP 1.27389
2 3B6R ADP 1.83727
3 5NII FAD 1.94175
4 3COW 52H 1.99336
5 3GE7 AFQ 2.07254
6 2PTZ PAH 2.08333
7 4MO4 ACP 2.15633
8 5J62 FMN 2.1645
9 1SJD NPG 2.17391
10 4C5N PXL 2.17391
11 1ZGD NAP 2.24359
12 1REO FAD 2.26337
13 2II3 CAO 2.29008
14 5YS9 FAD 2.31788
15 6C7D EOJ 2.33918
16 3GD4 NAD 2.34834
17 3W8X FTK 2.35043
18 1EZ0 NAP 2.35294
19 4IEN COA 2.45399
20 1UAS GLA 2.48619
21 5KV9 I57 2.51142
22 4Q4K FMN 2.52101
23 6GKV SAH 2.5641
24 1QK3 5GP 2.57511
25 5T8O 76Z 2.5788
26 4B1V ATP 2.65957
27 4B1V LAB 2.65957
28 4H03 ATP 2.66667
29 4H03 LAR 2.66667
30 2FXU ATP 2.66667
31 1EBG PAH 2.75229
32 1TAD GDP 2.77778
33 1TAD ALF 2.77778
34 2X6T NAP 2.80112
35 5OCQ 9RN G4S 9RN G4S 2.80702
36 2B9F ADP 2.83286
37 2B9H ADP 2.83286
38 1KOJ PAN 2.87253
39 6C0T EE4 2.88184
40 3NDJ SAH 2.88462
41 3NDJ JHZ 2.88462
42 3NRR D16 2.91262
43 3HMO STU 2.92398
44 1ZB6 GST 2.9316
45 4OOE FOM 2.9703
46 4OOE NDP 2.9703
47 3LXN MI1 3.14465
48 5HM3 649 3.1457
49 3OPT AKG 3.21716
50 3DLS ADP 3.28358
51 6FCX FAD 3.31126
52 4E1Z 0MX 3.43643
53 5J6C FMN 3.48259
54 5U6C 7YS 3.49206
55 4H6Q FAD 3.52564
56 4LRJ ANP 3.5503
57 3OZG SSI 3.6
58 2Z6I FMN 3.61446
59 6BQ6 TER 3.62538
60 1T7Q COA 3.64238
61 1T7Q 152 3.64238
62 1REQ DCA 3.64238
63 5TWB FAD 3.77907
64 5BVE 4VG 3.87812
65 2JIG PD2 4.01786
66 2WEI VGG 4.13907
67 4BTK DTQ 4.1543
68 3VKX T3 4.21456
69 2Z6J FMN 4.21687
70 2O07 MTA 4.27632
71 2O07 SPD 4.27632
72 4EES FMN 4.34783
73 2EQA AMP 4.54545
74 3IS2 FAD 4.54545
75 4P8K 38C 4.58333
76 4P8K FAD 4.58333
77 1HG4 LPP 4.6595
78 3MVH WFE 4.67836
79 3SRV S19 4.69314
80 5TA6 79D 4.7486
81 4NZN ANP 4.84848
82 4NZN 2OU 4.84848
83 4F9C 0SX 4.86111
84 3TFJ THG 4.87805
85 3FXU TSU 4.91803
86 3MTW M3R 4.96278
87 4V3I ASP LEU THR ARG PRO 5.05837
88 5AHM IMP 5.25
89 1QAW TRP 5.40541
90 5N0J FAD 5.41311
91 2WKQ FMN 5.42169
92 5Y6Q MCN 5.55556
93 5AWM ANP 5.58376
94 5K0A FAD 5.75758
95 4L77 CNL 5.77889
96 3PQB VGP 5.78842
97 1KYQ NAD 5.83942
98 3WMX NAD 5.86592
99 3EXS 5RP 5.88235
100 4K2G 1OQ 5.88235
101 3CH6 311 5.94406
102 3CH6 NAP 5.94406
103 1FW1 GSH 6.01852
104 3ZZS TRP 6.15385
105 4J5R A1R 6.16438
106 3UIM ANP 6.44172
107 3JQ3 ADP 6.55738
108 3RWP ABQ 6.75241
109 4K3H 1OM 6.77966
110 1MDC PLM 6.81818
111 4YUS FMN 7.06806
112 3HUJ AGH 7.07071
113 5U98 1KX 7.07071
114 5WZU 7W3 7.31707
115 4Q5H ANP 7.89474
116 5K5Z ANP 7.96178
117 1P6O HPY 8.07453
118 3UXL CFI 8.094
119 6BMS PLM 8.5044
120 3NIM ARG ARG ALA ALA 8.53659
121 5WL1 CUY 8.66667
122 5WL1 D3D 8.66667
123 2Z1U ATP 8.74636
124 2FR6 URI 9.58904
125 1YNQ NDP 10.0946
126 3LF0 ATP 10.5263
127 4O4K 2PK 11.0119
128 3C9U TPP 11.1111
129 3C9U ADP 11.1111
130 4JEM C5P 11.1765
131 3KH5 ADP 11.4286
132 6CQF F97 11.7845
133 5L2Z 70C 12.069
134 1U0A BGC BGC BGC BGC 12.1495
135 5EW9 5VC 12.9151
136 3IDB ANP 13.0435
137 5DEY 59T 13.1313
138 5DJU FMN 14.7541
139 1YRX FMN 16.5289
140 3UKR CKH 17.8571
141 3VPB ADP 17.8571
142 1Q2C COA 36.8421
143 1WAP TRP 38.6667
Pocket No.: 3; Query (leader) PDB : 5L2R; Ligand: LMR; Similar sites found with APoc: 6
This union binding pocket(no: 3) in the query (biounit: 5l2r.bio1) has 7 residues
No: Leader PDB Ligand Sequence Similarity
1 6CI9 NAP 3.0888
2 3VNM SDD 3.75427
3 1D4D FAD 3.84615
4 2UZ1 TPP 5.15098
5 5Z2F PDC 5.66038
6 4HE2 AMP 8.57988
Pocket No.: 4; Query (leader) PDB : 5L2R; Ligand: MLA; Similar sites found with APoc: 70
This union binding pocket(no: 4) in the query (biounit: 5l2r.bio1) has 11 residues
No: Leader PDB Ligand Sequence Similarity
1 2YNE YNE 1.5625
2 2YNE NHW 1.5625
3 2C78 PUL 1.7284
4 4ZRN NAD 1.92308
5 4ZRN UPG 1.92308
6 1MXG ACR 2.06897
7 5TCI 79V 2.43902
8 1SB8 UD2 2.55682
9 1SB8 NAD 2.55682
10 2ICK DMA 2.57511
11 3CQD ATP 2.589
12 1RYD GLC 2.64901
13 5CSS G3P 2.65487
14 3A1I UNU 2.68714
15 5WXU FLC 2.71399
16 2OQ2 A3P 3.06513
17 3AXB PRO 3.1457
18 2I6A 5I5 3.18841
19 2J9D AMP 3.36134
20 2RCU BUJ 3.64238
21 5TZO 7V7 3.7234
22 2APC UDM 3.80117
23 3E8N VRA 3.81232
24 3E8N ATP 3.81232
25 3DJF BC3 3.83275
26 1K0E TRP 3.97351
27 4CJN QNZ 4.30464
28 4GLL NAD 4.45104
29 5F6U 5VK 4.4586
30 3O61 GDD 4.71204
31 5HW4 SAM 4.83871
32 5ETJ IM5 4.93827
33 3LU1 NAD 4.94506
34 1VGR COA 5.15223
35 4UWJ MYA 5.15971
36 4UWJ 7L5 5.15971
37 4HWT 1B2 5.32688
38 5OUH L0B 5.36585
39 5FPE 3TR 5.42636
40 2JG1 ANP 5.75758
41 4CE5 PDG 6.00601
42 4OI4 ATP 6.08696
43 6DNT NAD 6.10465
44 3A16 PXO 6.16622
45 2P4S DIH 6.16622
46 2IVD ACJ 6.48536
47 2VAR ANP 6.70927
48 2RGX AP5 6.79612
49 2C49 ANP 7.28477
50 4C0X AQN 7.38916
51 4C0X FMN 7.38916
52 5UIJ TYD 7.65432
53 5XLY C2E 7.82918
54 1USF NAP 7.86517
55 2PZM UDP 7.87879
56 2PZM NAD 7.87879
57 4HWS 1B3 8.0292
58 5CLO NS8 8.47458
59 4FE2 AIR 8.62745
60 1T57 FMN 9.2233
61 3H86 AP5 9.89583
62 3LKJ LKJ 9.92908
63 2Q1W NAD 10.2102
64 4EJ1 FOL 11.3208
65 3KH5 AMP 11.4286
66 1NFS DED 12.5683
67 6C7R EO4 12.8
68 5ECP ATP 13.0045
69 5ZFJ 9BF 17.6211
70 2CJU PHX 17.6991
Pocket No.: 5; Query (leader) PDB : 5L2R; Ligand: LMR; Similar sites found with APoc: 17
This union binding pocket(no: 5) in the query (biounit: 5l2r.bio1) has 16 residues
No: Leader PDB Ligand Sequence Similarity
1 2E5V FAD 1.48305
2 2WZM NA7 2.4735
3 2HXW FLC 3.79747
4 4DHY GLC 4.05117
5 4C3Y ANB 4.15094
6 4C3Y FAD 4.15094
7 4YAG NAI 4.15225
8 2O07 MTA 4.27632
9 2O07 SPD 4.27632
10 2YKX AKG 4.51613
11 1QO8 FAD 4.947
12 1ATL 0QI 4.9505
13 3B8I OXL 6.62021
14 4WZA ADP 9.05797
15 4WZA ACP 9.05797
16 4LHD GLY 9.76821
17 2GAG FAD 11.1111
Pocket No.: 6; Query (leader) PDB : 5L2R; Ligand: LMR; Similar sites found with APoc: 4
This union binding pocket(no: 6) in the query (biounit: 5l2r.bio1) has 16 residues
No: Leader PDB Ligand Sequence Similarity
1 1GPE FAD 1.1925
2 4Z24 FAD 3.31126
3 5XFV FMN 5.98802
4 3R7F CP 7.56579
Pocket No.: 7; Query (leader) PDB : 5L2R; Ligand: MLA; Similar sites found with APoc: 11
This union binding pocket(no: 7) in the query (biounit: 5l2r.bio1) has 11 residues
No: Leader PDB Ligand Sequence Similarity
1 5AE9 OKO 1.49007
2 4I54 1C1 2.83286
3 2PGJ N1C 3.05344
4 1EU8 TRE 3.66748
5 4RF7 ARG 5.46358
6 2GQS C2R 5.90717
7 1OFL NGK GCD 6.02911
8 4Z9D NAD 8
9 2UX9 FMN 10.1449
10 3T64 DU3 12.1547
11 4P5E N6P 15.1316
Pocket No.: 8; Query (leader) PDB : 5L2R; Ligand: LMR; Similar sites found with APoc: 7
This union binding pocket(no: 8) in the query (biounit: 5l2r.bio1) has 7 residues
No: Leader PDB Ligand Sequence Similarity
1 2YA8 G39 3.24544
2 4SLI CNP 3.31126
3 2SIM DAN 4.19948
4 4RKS MEV 5.63798
5 6CLV 6MB 6.18557
6 3FSJ D7K 8.90152
7 4RGQ NDP 14.4022
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