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Receptor
PDB id Resolution Class Description Source Keywords
1T0S 2.2 Å EC: 1.-.-.- STRUCTURE OF THE TOLUENE/O-XYLENE MONOOXYGENASE HYDROXYLASE BROMOPHENOL BOUND PSEUDOMONAS STUTZERI DIIRON 4-BROMOPHENOL CHANNEL 4-HELIX BUNDLE CARBOXYLATE OXIDOREDUCTASE
Ref.: CRYSTAL STRUCTURE OF THE TOLUENE/O-XYLENE MONOOXYGE HYDROXYLASE FROM PSEUDOMONAS STUTZERI OX1: INSIGHT SUBSTRATE SPECIFICITY, SUBSTRATE CHANNELING, AND AC TUNING OF MULTICOMPONENT MONOOXYGENASES. J.BIOL.CHEM. V. 279 30600 2004
Ligand
Ligand Chain:Residue Validity Ligand Warnings Binding Data NGL Viewer Molecular Weight (Da) Formula SMILES
BML A:503;
A:504;
A:505;
A:506;
B:331;
B:332;
Valid;
Valid;
Valid;
Valid;
Valid;
Valid;
none;
none;
none;
none;
none;
none;
submit data
173.007 C6 H5 Br O c1cc(...
FE A:499;
A:500;
Part of Protein;
Part of Protein;
none;
none;
submit data
55.845 Fe [Fe+3...
MCR A:502;
Invalid;
none;
submit data
92.117 C2 H4 O2 S C(C(=...
OH A:501;
Invalid;
none;
submit data
17.007 H O [OH-]
View in 3D viewer
90% Homology Family
Leader
PDB id Resolution Class Description Source Keywords
1T0S 2.2 Å EC: 1.-.-.- STRUCTURE OF THE TOLUENE/O-XYLENE MONOOXYGENASE HYDROXYLASE BROMOPHENOL BOUND PSEUDOMONAS STUTZERI DIIRON 4-BROMOPHENOL CHANNEL 4-HELIX BUNDLE CARBOXYLATE OXIDOREDUCTASE
Ref.: CRYSTAL STRUCTURE OF THE TOLUENE/O-XYLENE MONOOXYGE HYDROXYLASE FROM PSEUDOMONAS STUTZERI OX1: INSIGHT SUBSTRATE SPECIFICITY, SUBSTRATE CHANNELING, AND AC TUNING OF MULTICOMPONENT MONOOXYGENASES. J.BIOL.CHEM. V. 279 30600 2004
Members (1)
No: PDB id Binding Data Representative ligand Formula Smiles
The Class containing this family consists of a total of 318 families.
1 1T0S - BML C6 H5 Br O c1cc(ccc1O....
70% Homology Family (1)
No: PDB id Binding Data Representative ligand Formula Smiles
The Class containing this family consists of a total of 280 families.
1 1T0S - BML C6 H5 Br O c1cc(ccc1O....
50% Homology Family (3)
No: PDB id Binding Data Representative ligand Formula Smiles
The Class containing this family consists of a total of 6 families.
1 3RMK - BML C6 H5 Br O c1cc(ccc1O....
2 5TDS - MBN C7 H8 Cc1ccccc1
3 1T0S - BML C6 H5 Br O c1cc(ccc1O....
Polypharmacology
Similar Ligands
Ligand no: 1; Ligand: BML; Similar ligands found: 2
No: Ligand ECFP6 Tc MDL keys Tc
1 BML 1 1
2 HQE 0.529412 0.647059
Similar Binding Sites (Proteins are less than 50% similar to leader)
Pocket No.: 1; Query (leader) PDB : 1T0S; Ligand: BML; Similar sites found with APoc: 467
This union binding pocket(no: 1) in the query (biounit: 1t0s.bio2) has 8 residues
No: Leader PDB Ligand Sequence Similarity
1 2ZFZ ARG None
2 4WG0 CHD None
3 4JLZ UTP 1.81818
4 6A0S NDP 2.40964
5 4YCA NDP 3.06122
6 4RC8 STE 3.15315
7 2V7Y ADP 3.33333
8 6GL8 F3Q 3.48837
9 3VHE 42Q 3.48837
10 4AG8 AXI 3.48837
11 1S7G APR 3.48837
12 2C78 PUL 3.63636
13 5FPE 3TR 3.63636
14 2OO8 RAJ 3.78549
15 5AR0 GB8 3.93939
16 6G3R ADP 3.93939
17 3WHB DCC 4.12371
18 3NJQ NJQ 4.14508
19 1XS1 DUT 4.14508
20 1ZGA HMK 4.24242
21 4E90 7RG 4.25532
22 6FK6 DOK 4.28135
23 4XPL ACO 4.29448
24 2AX9 BHM 4.29688
25 1HG4 LPP 4.30108
26 4NVP 7CH 4.30622
27 3D04 SAK 4.40252
28 6BMS PLM 4.54545
29 1MUU NAD 4.54545
30 5D9O BGC BGC BGC BGC 4.54545
31 1MV8 NAD 4.54545
32 6CAY ERG 4.61847
33 4GNI ATP 4.65116
34 1KPG 16A 4.65116
35 2GBB CIT 4.65116
36 2HW2 RFP 4.8951
37 3QKD HI0 4.97238
38 4QEK GLC 4.98339
39 3KYQ DPV 5.02513
40 5JKG 6LF 5.14469
41 4UDB CV7 5.14706
42 2IYA ZIO 5.15152
43 4M8E 29V 5.19481
44 4POJ 2VP 5.19481
45 4F4S EFO 5.26316
46 2FV5 541 5.36398
47 2ALG DAO 5.43478
48 2ALG HP6 5.43478
49 5HCV 60R 5.44747
50 5EOU ATP 5.45455
51 3L0E G58 5.5336
52 2A3I C0R 5.5336
53 4EI7 GDP 5.65553
54 4PGK Y69 5.7377
55 1ZC9 PMP 5.77367
56 3ET1 ET1 5.81395
57 6B3V 7DQ 5.81395
58 2NPA MMB 5.81395
59 3VP6 HLD 5.81395
60 2P54 735 5.81395
61 6EOF ADP 5.81395
62 3KDU NKS 5.81395
63 4DV8 0LX 5.81395
64 6BR8 6OU 5.81395
65 3BEO UDP 5.81395
66 5L7G 6QE 5.81395
67 5KOR GDP 5.81395
68 4Q86 AMP 5.81395
69 3REU ATP 5.81395
70 2X1L MET 5.81395
71 5IKR ID8 5.81395
72 4QIJ 1HA 5.81395
73 3IWK NAD 5.81395
74 4JDR FAD 5.81395
75 5TV6 PML 5.81395
76 1U6R ADP 5.81395
77 2I80 G1L 5.83333
78 3CEV ARG 6.02007
79 1MDC PLM 6.06061
80 1G2N EPH 6.06061
81 4JE7 BB2 6.09137
82 5KVA SAM 6.11511
83 3L1N PLM 6.18557
84 3KXC PLM 6.18557
85 4ASE AV9 6.23229
86 5N26 CPT 6.59341
87 5LPA 71R 6.66667
88 5LPA ATP 6.66667
89 5UXM TRP 6.66667
90 4P6X HCY 6.66667
91 6C7D EOJ 6.72515
92 1TMX HGX 6.82594
93 4ADC PLP 6.89655
94 4E3Q PMP 6.9697
95 5OBU ANP 6.97674
96 5OBY ANP 6.97674
97 3G5N PB2 6.97674
98 1XQD DND 6.97674
99 5EXW 7DT 6.97674
100 4UHL VFV 6.97674
101 3GZ9 D32 6.97674
102 2P1C GG3 6.97674
103 2OKL BB2 6.97674
104 3L41 LYS PRO SEP GLN GLU LEU 6.97674
105 5NWI TYR PHE SER SEP ASN 6.97674
106 4B7H NDP 6.97674
107 1LQY BB2 6.97674
108 4U82 FPS 6.97674
109 5FAL SKT 6.97674
110 5FAL COA 6.97674
111 5AZC PGT 6.97674
112 4DXJ 0M9 6.97674
113 4CRL C1I 6.97674
114 1N9G NAP 6.97674
115 4XVX P33 FDA 6.97674
116 1E5F PLP 6.97674
117 5U8U FAD 6.97674
118 2ZCQ B65 6.97674
119 4K2G 1OQ 6.97674
120 2WOR 2AN 7
121 4BNU 9KQ 7.0632
122 2GFD RDA 7.20339
123 1I0B PEL 7.27273
124 5TVI O8N 7.6087
125 2PWY SAH 7.75194
126 1V1A ADP 7.76699
127 6BMM OLB 7.84983
128 2PZM NAD 7.87879
129 2PZM UDP 7.87879
130 6CDZ CB3 7.98479
131 5U83 ZN8 8.01887
132 3UMV FAD 8.03213
133 3DST GRG 8.13953
134 3PPM JG1 8.13953
135 5KF6 NAD 8.13953
136 4YDU ADP 8.13953
137 4U0I 0LI 8.13953
138 2OBD 2OB 8.13953
139 3FAL LO2 8.13953
140 1TV5 A26 8.13953
141 4OHU 2TK 8.13953
142 4OHU NAD 8.13953
143 6F68 GSH 8.13953
144 6F68 4EU 8.13953
145 4P42 PEE 8.13953
146 3FAL REA 8.13953
147 5GUE GGS 8.13953
148 3TTC ADP 8.13953
149 1N1G BCP 8.13953
150 3GFZ FMN 8.13953
151 4BA5 PXG 8.13953
152 3ABA FLI 8.13953
153 1TUU ADP 8.13953
154 5G57 6M5 8.13953
155 3RIY NAD 8.13953
156 3G5K BB2 8.13953
157 4NKW PLO 8.13953
158 4LOC BTN 8.13953
159 4RPL 3UC 8.13953
160 4RPL FAD 8.13953
161 1YC4 43P 8.13953
162 3ER9 3AT 8.13953
163 1W2Y DUN 8.13953
164 6EQS BV8 8.13953
165 2JLD AG1 8.13953
166 2NYA MGD 8.13953
167 5DEP UD1 8.13953
168 3NB0 G6P 8.13953
169 2BHZ MAL 8.18182
170 5HZ5 65X 8.20895
171 4LWU 20U 8.23529
172 3VVY ET 8.24742
173 1TIQ COA 8.33333
174 4G86 BNT 8.4507
175 4RGQ 13P 8.48485
176 1SR7 MOF 8.49421
177 2AAZ UMP 8.51735
178 4OAR 2S0 8.52713
179 1OW4 2AN 8.52713
180 5YWX GSH 8.58586
181 5YWX 93C 8.58586
182 5UR1 YY9 8.68167
183 5DB3 58Q 8.79346
184 1N8V BDD 8.92857
185 1KZL CRM 9.13461
186 3WYJ H78 9.30233
187 2BNE U5P 9.30233
188 6ASY ATP 9.30233
189 5TUX ECH 9.30233
190 6B5G CQY 9.30233
191 6B5G NAD 9.30233
192 5V13 JH3 9.30233
193 4IBF 1D5 9.30233
194 1M1B SPV 9.30233
195 1YSL COA 9.30233
196 4U63 FAD 9.30233
197 4ZW9 GLC 9.30233
198 4ZW9 BGC 9.30233
199 5CXI 5TW 9.35961
200 5X80 SAL 9.375
201 3LDW IPE 9.59596
202 3LDW ZOL 9.59596
203 2IYG FMN 9.67742
204 2QV6 GTP 9.70149
205 2G36 TRP 9.70588
206 4RHP PEF 9.78723
207 2QJY SMA 10
208 5MWY YNU 10.1639
209 4ZBR NPS 10.303
210 4ZBR DIF 10.303
211 2Q1H AS4 10.4
212 5XJ8 NKO 10.4478
213 5XJ7 87O 10.4478
214 1TUK PGM 10.4478
215 1GNI OLA 10.4651
216 2Q97 ATP 10.4651
217 5ZZA ATP 10.4651
218 1V7C HEY 10.4651
219 4B1W ATP 10.4651
220 2V51 ATP 10.4651
221 4PKG ATP 10.4651
222 3LN0 52B 10.4651
223 3SJH ATP 10.4651
224 3U9Z ADP 10.4651
225 1YAG ATP 10.4651
226 5DDW 5B6 10.4651
227 4PFT MAB 10.4651
228 2V1O COA 10.4651
229 1SQK ADP 10.4651
230 4V1T ADP 10.4651
231 3EWC MCF 10.4651
232 4CBU ATP 10.4651
233 1RM6 PCD 10.4651
234 3HAZ NAD 10.4651
235 2QE0 NAP 10.4651
236 3ZF8 GDP 10.4651
237 2Z7I 742 10.4651
238 5H62 UDP 10.4651
239 2UXI G50 10.4762
240 4DPL NAP 10.585
241 3QDC RET 10.8787
242 4AOA IK2 10.9091
243 6CEN ACE GLY VAL NLE ARG ILE NH2 10.9649
244 5DX3 EST 11.1111
245 5WGD EST 11.1111
246 5DXG EST 11.1111
247 5WGQ EST 11.1111
248 5DXE EST 11.1111
249 4UMJ BFQ 11.1486
250 1DTL BEP 11.1801
251 2AIB ERG 11.2245
252 2QA8 GEN 11.2403
253 4MG7 27H 11.3725
254 4MG8 27J 11.3725
255 4MGD 27N 11.3725
256 4MGB XDH 11.3725
257 4TUZ 36J 11.3725
258 4MG9 27K 11.3725
259 2BFR ADP 11.4583
260 3MBG FAD 11.5108
261 4TV1 36M 11.5538
262 3UUD EST 11.5538
263 3RY9 1CA 11.6
264 5TWO 7MV 11.6279
265 3H0A D30 11.6279
266 3G9E RO7 11.6279
267 2PRG BRL 11.6279
268 2P4Y C03 11.6279
269 5WFC A97 11.6279
270 4NES UDP 11.6279
271 5APK 76E 11.6279
272 1U3R 338 11.6279
273 5IXK 6EW 11.6279
274 2J7T 274 11.6279
275 1YYE 196 11.6279
276 2YJD YJD 11.6279
277 3NT6 COA 11.6279
278 2OFV 242 11.6279
279 5FUS DAO 11.6279
280 4NS3 NAD 11.6279
281 3ET3 ET1 11.6279
282 3NTA COA 11.6279
283 4J26 EST 11.6279
284 4M52 FAD 11.6279
285 5XDT ZI7 11.6279
286 3EE4 MYR 11.6279
287 4CDN FO1 11.6279
288 4CDN FAD 11.6279
289 3NTD COA 11.6279
290 4ZSY RW2 11.6279
291 6B21 C9V 11.6279
292 6ESN BWE 11.6279
293 5HGR 45D 11.6279
294 3HR1 PF9 11.6279
295 3HP9 CF1 11.6279
296 3H0A 9RA 11.6279
297 2AEL SAZ 11.6279
298 5C2H 4XU 11.6279
299 4WPF 3SN 11.6279
300 4CQM NAP 11.6279
301 3FS1 MYR 11.7391
302 6D6L FY4 11.7647
303 1RQJ RIS 12.0401
304 4YDQ ANP 12.4242
305 4YDQ HFG 12.4242
306 4HBM 0Y7 12.5
307 3STD MQ0 12.7273
308 4RNX FMN 12.7273
309 2NP9 YE1 12.7907
310 5OSW DIU 12.7907
311 6BHV DQV 12.7907
312 5L92 C0R 12.7907
313 5DEY 59T 12.7907
314 5W7B MYR 12.7907
315 5OSW AE4 12.7907
316 3H78 BE2 12.7907
317 4ZVF GAV 12.7907
318 4URN NOV 12.7907
319 4X7R 3YW 12.7907
320 3GWT 066 12.7907
321 3O55 FAD 12.8
322 4RLT FSE 12.9252
323 1G27 BB1 13.0952
324 1YRE COA 13.198
325 2FKW RG1 13.2075
326 5YEE ATP 13.2353
327 3ANP DCC 13.2353
328 1LRI CLR 13.2653
329 3CQD ATP 13.2686
330 3E85 BSU 13.2911
331 5V3Y 5V8 13.6364
332 3E3U NVC 13.7056
333 4DOL PLM 13.8249
334 3RET PYR 13.8614
335 3RET SAL 13.8614
336 2FYU FDN 13.9535
337 3WQM B29 13.9535
338 5F1R 42O 13.9535
339 4V24 GYR 13.9535
340 3WCA FPS 13.9535
341 4PFC 2QX 13.9535
342 3WQT ANP 13.9535
343 1O9J NAD 13.9535
344 4BQH 9VU 13.9535
345 5ZZB ATP 13.9706
346 5XS3 VAL ARG SER ARG ARG CYS LEU ARG LEU 14.2857
347 5LWY OLA 14.2857
348 4WT2 3UD 14.2857
349 3NHT U46 14.527
350 2R40 20E 14.6617
351 2ZMF CMP 14.8148
352 6F6E PLM 14.8734
353 2X4T ASN LEU VAL PRW MET VAL ALA THR VAL 15
354 5JZI LYS LEU VAL ALA LEU GLY ILE ASN ALA VAL 15
355 2QXL ATP 15.1163
356 4B9Q ATP 15.1163
357 4JNE ATP 15.1163
358 4D7M TDC 15.1163
359 4D3S BOG 15.1163
360 1U8V FAD 15.1163
361 3TKY SAH 15.1163
362 4NB5 2JT 15.1163
363 1ECM TSA 15.5963
364 4OAS 2SW 15.625
365 5CSD ACD 15.7233
366 3MN5 ATP 15.7895
367 3SP6 IL2 16.2791
368 3QFU ADP 16.2791
369 3LDQ 3P1 16.2791
370 2BUP ATP 16.2791
371 2BUP ADP 16.2791
372 3GKJ HC3 16.2791
373 1KXP ATP 16.2791
374 5WYF ILP 16.2791
375 3HKW IX6 16.2791
376 4D06 NAR 16.2791
377 1R5L VIV 16.2791
378 3RDE OYP 16.2791
379 1T57 FMN 16.2791
380 4GA6 AMP 16.2791
381 2OWZ CIT 16.2791
382 3G4G D71 16.2791
383 5UC9 MYR 17.2566
384 4F97 GDP 17.4419
385 4YUS FMN 17.4419
386 3D9F N6C 17.4419
387 1FCH TYR GLN SER LYS LEU 17.4419
388 4OGQ 7PH 17.4419
389 4EFH ADP 18.1818
390 1B4B ARG 18.3099
391 6BKL RIM 18.5185
392 6BKL EU7 18.5185
393 2XCG XCG 18.6047
394 5N7O 69Y 18.6047
395 4RHE FMN 18.6603
396 3FAP ARD 18.6916
397 2XKO AKG 19.1011
398 2CJF RP4 19.7452
399 2D09 FLV 19.7674
400 4DJA DLZ 19.7674
401 4DJA FAD 19.7674
402 3GN8 DEX 19.7674
403 5HR5 ADP 19.7674
404 2CE7 ADP 19.7674
405 3HDY GDU 19.7674
406 3HDY FDA 19.7674
407 1MHC FME TYR PHE ILE ASN ILE LEU THR LEU 20.202
408 3BC1 GNP 20.339
409 1OPK MYR 20.9302
410 3KRO DST 20.9302
411 3KRO IPE 20.9302
412 1LW4 TLP 20.9302
413 2QV7 ADP 20.9302
414 2QWO ADP 21.7391
415 3L9R L9Q 22.093
416 3L9R L9R 22.093
417 1XX4 BAM 22.093
418 1YRX FMN 22.314
419 1ZEI CRS 22.6415
420 1S17 GNR 23.2558
421 5WZU 7W3 23.2558
422 3W68 VIV 23.2558
423 4PL8 ATP 23.2877
424 6EVN PRO PRO GLY PRO ALA GLY PRO PRO GLY 23.5294
425 1FM9 9CR 24
426 4HEE 14R 24
427 5C9J DAO 24.4186
428 5UWA 8ND 24.4186
429 3IWJ NAD 24.4186
430 1RV1 IMZ 24.7059
431 4W97 UCA 25.5
432 4A2A ATP 25.5814
433 4A2B AGS 25.5814
434 6BYM HC3 25.5814
435 1W5F G2P 25.5814
436 1RDT L79 26.087
437 1RDT 570 26.087
438 4J24 EST 26.3158
439 3KMZ EQO 26.7442
440 1DKF OLA 26.7442
441 2GJ3 FAD 26.7442
442 5UR6 8KM 26.7442
443 4C2V YJA 27.2727
444 2R75 01G 27.907
445 2HFN FMN 27.907
446 4B1V ATP 28.125
447 1K7L 544 28.5714
448 1XVB BHL 28.7149
449 1PZO CBT 29.0698
450 1XXA ARG 29.4872
451 5KBZ 3B2 30.2326
452 3JRS A8S 30.2326
453 4P5Z Q7M 31.3953
454 3OLL EST 31.5789
455 6FS0 E4W 32.0755
456 5MT9 SRO 33.3333
457 3T03 3T0 33.3333
458 1XM4 PIL 34.8837
459 1XMY ROL 34.8837
460 1XMU ROF 34.8837
461 1Q1Y BB2 37.2093
462 6A5Y 9CR 37.5
463 2DYS PGV 39.2857
464 2DYR PGV 39.2857
465 5ZCO PGV 39.2857
466 5X8Q 82R 40.9091
467 1PZL MYR 42.8571
468 3OKI OKI 50
Pocket No.: 2; Query (leader) PDB : 1T0S; Ligand: BML; Similar sites found with APoc: 142
This union binding pocket(no: 2) in the query (biounit: 1t0s.bio2) has 10 residues
No: Leader PDB Ligand Sequence Similarity
1 3ZCN ATP 2.32558
2 5ZQY AR6 3.15186
3 1FK5 OLA 3.22581
4 9ABP GLA 3.26797
5 9ABP GAL 3.26797
6 3NJ4 AFX 3.48837
7 4IVG ANP 3.63636
8 5D85 P1T 3.68098
9 1VBJ NAP 3.91459
10 1ZXM ANP 4.24242
11 2BVL GLC 4.24242
12 2BVL UDP 4.24242
13 1QZR ANP 4.54545
14 3AHQ FAD 4.54545
15 3E7O 35F 4.84848
16 2QCX PF1 4.84848
17 5SVV FMN 5.10949
18 1TD2 PXL 5.22648
19 4G6I RS3 5.71429
20 4M73 SAH 5.81395
21 4M73 M72 5.81395
22 5L7G LYS SER LEU LEU GLN GLN LEU LEU THR GLU 5.81395
23 5ZKC 3C0 5.81395
24 2P2V CSF 5.81395
25 5XET ME8 5.81395
26 1QPB TPP 5.81395
27 4IPE ANP 5.81395
28 5B4B LP5 5.81395
29 2Z81 PCJ 5.81395
30 4Q6R 30J 5.81395
31 4R38 RBF 6.42857
32 5WRE 7TL 6.45161
33 3HLX PQQ 6.58915
34 4C0R GDS 6.85484
35 5DKK FMN 6.89655
36 2RFZ CTR 6.97674
37 3QWI CUE 6.97674
38 4BE9 7P9 6.97674
39 1WDA BAG 6.97674
40 1UVC STE 6.97674
41 5VEO AMP 6.97674
42 2VVT I24 6.97674
43 5ICK FEZ 6.9869
44 4OIV XX9 7.07965
45 3MDV CL6 7.27273
46 6EHH 2GE 7.38636
47 2QE4 JJ3 7.66129
48 1WS1 BB2 7.69231
49 2Z6C FMN 7.75194
50 6B5Q PPI CZS 2KY MLY 1XY 8
51 6GG9 FMN 8.02469
52 4Z5W TYS ILE TYS THR GLN 8.03213
53 4GCZ FMN 8.05195
54 1IA9 ANP 8.13953
55 3V78 ET 8.13953
56 4RDZ MYR 8.13953
57 4A8H PUW 8.13953
58 4ORM 2V6 8.22943
59 4ORM ORO 8.22943
60 4ORM FMN 8.22943
61 3L02 CP 8.35655
62 3L02 SN0 8.35655
63 2ZWA SAH 8.48485
64 1SVK ALF GDP 8.78788
65 1Y3A GDP 8.81459
66 2ZFU SAH 8.83721
67 4A34 FUL 8.84354
68 2E3N 6CM 9.30233
69 4Y30 SAH 9.30233
70 2H7C COA 9.30233
71 2XXP DSL 9.30233
72 1NQ7 ARL 9.30233
73 4N6H EJ4 9.30233
74 4ZY1 4U5 9.30233
75 4XRZ SI6 9.30233
76 2X7J TPP 9.30233
77 4ZDC CO8 9.66667
78 1UUY PPI 10.1796
79 1UMD TDP COI 10.1852
80 5XVS NAG 10.4651
81 2IVD FAD 10.4651
82 2C0U FAD NBT 10.4651
83 1DMH LIO 10.4651
84 3WFD AXO 10.4651
85 1DR1 NAP 10.582
86 1DR1 HBI 10.582
87 2ODE ALF GDP 10.6383
88 5HZX 2GE 10.7955
89 4LZJ 22H 10.8911
90 1JQI FAD 11.6279
91 4LA7 A1O 11.6279
92 5MBC FMN 11.6279
93 5OHJ 9VE 12.7907
94 4Q0A GLY HIS LYS ILE LEU HIS ARG LEU LEU GLN 12.7907
95 5U3B 7TD 12.7907
96 4HIA FMN 13.0682
97 1YJQ NAP 13.9535
98 1DUV PSQ 13.9535
99 3NRR D16 13.9535
100 5ESO TDP 13.9535
101 5ESO ISC 13.9535
102 5E2N V14 13.9535
103 3BAZ NAP 13.9535
104 2YKL NLD 13.9535
105 1UBY DMA 15.1163
106 3U2U UDP 15.1163
107 2WCV FUC 15.1163
108 1ZOA 140 15.1163
109 6ADI 9UO 15.1163
110 3CLH NAD 15.1163
111 5ORG 6DB 15.9696
112 2YYJ 4HP 16.2162
113 2YYJ FAD 16.2162
114 1XON PIL 16.2791
115 2J1P GRG 16.2791
116 5BUK FAD 16.2791
117 5EFW FMN 16.5517
118 3EM1 TYD 17.1233
119 5DX8 SFG 17.4419
120 4ZE0 VOR 17.4419
121 3I59 N6R 18.6047
122 4YNU FAD 19.7674
123 6BK3 B2S 19.7674
124 3ZC7 ATP 20.6349
125 1OPK P16 20.9302
126 1GUX ASP LEU TYR CYS TYR GLU GLN LEU ASN 20.9302
127 2Y7P SAL 20.9302
128 3QUZ QUV 22.093
129 3RUG DB6 22.093
130 2WCU FUC 22.1477
131 1R27 MGD 23.2558
132 4NAT ADP 23.2558
133 4NAT 2W5 23.2558
134 2PR5 FMN 23.4848
135 5DM1 SAH 26.7442
136 5DM1 5D7 26.7442
137 1DEK DGP 26.7442
138 2HFP NSI 28.5714
139 4C0C WVH 38.3721
140 5Z84 PGV 39.2857
141 5ZCO TGL 39.2857
142 5Z84 TGL 39.2857
Pocket No.: 3; Query (leader) PDB : 1T0S; Ligand: BML; Similar sites found with APoc: 38
This union binding pocket(no: 3) in the query (biounit: 1t0s.bio2) has 8 residues
No: Leader PDB Ligand Sequence Similarity
1 1QXO FMN 2.06186
2 4NEC SAH 2.65152
3 2VHJ ADP 3.32326
4 1ZIN AP5 3.68664
5 4NU0 AP5 5.81395
6 4L3L 5FI 5.81395
7 3LAD FAD 6.06061
8 4TSZ ACE GLN ALC ASP LEU ZCL 6.97674
9 5GVL GI8 8.13953
10 5GVL PLG 8.13953
11 3DLS ADP 8.13953
12 5M67 ADE 9.30233
13 5M67 NAD 9.30233
14 1DUG GSH 9.30233
15 5M67 3D1 9.30233
16 3FN0 TRP ASN TRP PHE ASP ILE THR ASN LYS 9.30233
17 2Z3N PHE ARG TYR LEU GLY 9.30233
18 4XQC 13D 10.303
19 4XQC NAD 10.303
20 5SYN 71T 10.3896
21 5YU3 NAD 10.4651
22 5YU3 PRO 10.4651
23 3GYQ SAM 11.6279
24 3DCM SAM 11.9792
25 2HW1 FRU 12.7907
26 3TUT ATP 12.7907
27 3IA4 NDP 13.9535
28 1F8Y 5MD 15.9236
29 3X0V FAD 16.2791
30 3VZS NAP 16.2791
31 4MKG AP5 17.4419
32 1V0O INR 17.4419
33 1V2X SAM 18.0412
34 3EWP APR 18.6047
35 3OND NAD 22.093
36 3OND ADN 22.093
37 4NST ADP 23.2558
38 4Q9N NAI 26.7442
Pocket No.: 4; Query (leader) PDB : 1T0S; Ligand: BML; Similar sites found with APoc: 86
This union binding pocket(no: 4) in the query (biounit: 1t0s.bio2) has 10 residues
No: Leader PDB Ligand Sequence Similarity
1 3P8N L4T 2.68817
2 4BI7 PGA 2.72374
3 2FT0 ACO 2.97872
4 1TRD PGH 3.33333
5 2VBQ BSJ 3.48837
6 1S7G NAD 3.48837
7 1F6D UDP 3.48837
8 3AL3 SER ILE TYR PHE TPO PRO GLU LEU TYR ASP 3.82979
9 1U1I NAD 3.93939
10 5N5U AMP 4.14013
11 5Y0T TAT 4.24242
12 4YDX TCE 4.47761
13 5Y0N ATP 4.65116
14 2YGO PCF 4.65116
15 4GR5 APC 4.84848
16 2CNT COA 5
17 2YGN PCF 5.12821
18 1N1D C2G 5.42636
19 4AZ3 S35 5.80645
20 1GY8 NAD 5.81395
21 5F2T PLM 5.81395
22 3ND6 ATP 5.84795
23 3SUD SUE 6.89655
24 1TZJ A3B 6.97674
25 1RM0 NAI 6.97674
26 5YBL AKG 6.97674
27 5ZM4 AKG 6.97674
28 5ZM4 9FU 6.97674
29 6BVE PGA 6.97674
30 4N02 FNR 6.97674
31 1CZA G6P 6.97674
32 5N81 8Q2 6.97674
33 5ENZ UDP 7.01299
34 3SFI 3SF 7.62712
35 2HMT NAI 7.63889
36 3LU1 NAD 8.13953
37 5EYW PGA 8.13953
38 1Q8V MAN MAN MAN 8.13953
39 1Q8P MAN MMA 8.13953
40 6C8X BVR 8.13953
41 2PHT MAN MAN MAN BMA MAN 8.13953
42 4Y9J FAD 8.13953
43 3HGM ATP 8.13953
44 4RJK PYR 8.13953
45 5CYV WCA 8.21918
46 6BFN DL1 8.47953
47 2WK1 SAH 9.30233
48 2GCG NDP 9.30233
49 5G5G FAD 9.30233
50 1PCA CIT 9.30233
51 4ASJ N6A 9.30233
52 3BF1 ADP 9.30233
53 3BF1 PAU 9.30233
54 6C28 WCA 9.30233
55 5V49 8WA 9.30233
56 5UC4 83S 9.30233
57 3HL4 CDC 9.32203
58 2QJY UQ2 10
59 1NVM NAD 10.4651
60 5H2U 1N1 10.4651
61 4X7Y SAH 11.6279
62 5M0T AKG 11.6279
63 4YMZ 13P 11.6279
64 4XAQ 40F 11.6279
65 4RI1 ACO 12.3656
66 1FFU FAD 13.4969
67 5X3D 7XL 13.75
68 5BNW 12V 13.9535
69 4GYW UDP 13.9535
70 5X2N ALA 13.9535
71 3KFL ME8 13.9535
72 4EZW ASN ARG LEU LEU LEU THR GLY 13.9535
73 6BII NAP 15.1163
74 5Y0Q APC 16.2791
75 3G58 988 16.2791
76 4D42 NAP 17.4419
77 4D42 W0I 17.4419
78 1YRO GDU 17.4419
79 3C8Z 5CA 18.1818
80 3BZ3 YAM 18.6047
81 3TKI S25 18.6047
82 3KP6 SAL 20.5298
83 3G08 FEE 22.093
84 3HUJ AGH 22.093
85 4INB 1F6 22.093
86 1EWF PC1 41.8605
Pocket No.: 5; Query (leader) PDB : 1T0S; Ligand: BML; Similar sites found with APoc: 320
This union binding pocket(no: 5) in the query (biounit: 1t0s.bio2) has 8 residues
No: Leader PDB Ligand Sequence Similarity
1 5KLP IHP 2.04678
2 5NM7 GLY 2.25564
3 6F70 GSH 2.38095
4 3LOO B4P 2.46575
5 2GRU EXO 2.72727
6 3CKZ ZMR 3.0303
7 5G3N X28 3.14961
8 4KWD JF2 3.18471
9 4W4S B29 3.33333
10 6EWZ GTP 3.37553
11 6EQ8 BQZ 3.48837
12 6FQZ 6PG 3.48837
13 4XB4 45D 3.94737
14 3ZS7 ATP 4
15 5K52 OCD 4.15094
16 1L6O SER LEU LYS LEU MET THR THR VAL 4.21053
17 1V7Z CRN 4.23077
18 4DD8 BAT 4.32692
19 2BYC FMN 4.37956
20 3VX3 ADP 4.43548
21 1YP1 LYS ASN LEU 4.45545
22 3KB6 NAD 4.49102
23 5Z3I ADE 4.5283
24 1RJD SAM 4.54545
25 1VGR COA 4.54545
26 4F06 PHB 4.54545
27 3GST GPR 4.60829
28 3V1V GST 4.65116
29 3OTX AP5 4.65116
30 1U08 PLP 4.65116
31 4XDA ADP 4.65116
32 4LH7 NMN 4.65116
33 2FP2 TSA 4.81928
34 6G5J EM8 4.84848
35 4DDY DN6 4.94297
36 4DE3 DN8 4.94297
37 5W7U GY8 5.07614
38 2DM6 NAP 5.15152
39 1M2Z DEX 5.44747
40 3KFC 61X 5.5336
41 3ZLR X0B 5.6962
42 4INW 1EY 5.71429
43 2VAP GDP 5.75758
44 1ION ADP 5.76132
45 4QWT ACD 5.81395
46 1BWO LPC 5.81395
47 1W2D 4IP 5.81395
48 2X5W K2B 5.81395
49 2W14 WR2 5.81395
50 1QNF FAD 5.81395
51 1QNF HDF 5.81395
52 2WME NAP 5.81395
53 4O1Z MXM 5.81395
54 5B0W 22B 5.84192
55 3WBG 2AN 5.88235
56 5CXX FER 6.18182
57 6D28 NEC 6.22711
58 5EP2 AZU 6.25
59 2P4Q FLC 6.36364
60 2UW1 GVM 6.36364
61 5EIB GTP 6.50888
62 1R55 097 6.54206
63 5OWC AYZ 6.55738
64 1UU1 PMP HSA 6.56716
65 3QYY C2E 6.58683
66 1PGP 6PG 6.639
67 5HZ9 5M8 6.66667
68 2YNC YNC 6.66667
69 4MYD 164 6.74603
70 4P6W MOF 6.74603
71 2IZ1 ATR 6.9697
72 2IZ1 RES 6.9697
73 4QJR PIZ 6.97674
74 4JLV ADP 6.97674
75 3LLI FAD 6.97674
76 4M0R 644 6.97674
77 5IJJ I6P 6.97674
78 1Z3C SA8 6.97674
79 1ZDT PEF 6.97674
80 4JBI NDP 6.97674
81 4JKV 1KS 6.97674
82 4ZAC 4LU 6.97674
83 1MRH FMC 6.97674
84 4C12 ADP 6.97674
85 4C12 UML 6.97674
86 1NP7 FAD 6.97674
87 3SHZ 5CO 6.97674
88 3UP3 XCA 6.97674
89 4U0S ADP 6.97674
90 1GJW GLC 6.97674
91 1Y7I SAL 7.08955
92 3WJO IPE 7.12166
93 4BFW ZVW 7.2327
94 5N2F 8HW 7.25806
95 3ZKI WZV 7.27273
96 1DQE BOM 7.29927
97 5OFI 9TQ 7.37705
98 2BJ4 OHT 7.53968
99 4KIB SAH 7.56302
100 5TVI MYR 7.6087
101 2B3D FAD 7.84314
102 2HZL PYR 7.94521
103 1AG9 FMN 8
104 4WEY EG6 8.13953
105 4OMJ 2TX 8.13953
106 3QCP FAD 8.13953
107 3SDV 911 8.13953
108 2B96 ANN 8.13953
109 5YS9 FAD 8.13953
110 2CB3 MLD 8.13953
111 2C9E DGD 8.13953
112 2C9E PID 8.13953
113 5OLK DTP 8.13953
114 2FWP ICR 8.13953
115 4ZAD 4LU 8.13953
116 2OBD PCW 8.13953
117 1OFU GDP 8.13953
118 5AA4 6X4 8.13953
119 4LNU GTP 8.13953
120 5Z20 NAI 8.13953
121 1Q7E MET 8.13953
122 3AQT RCO 8.16327
123 2D81 RB3 8.1761
124 1YOK P6L 8.20312
125 5BVT PAM 8.20895
126 4EJ1 FOL 8.20895
127 5ANU 58T 8.22785
128 1OBV FMN 8.28402
129 4J7U NAP 8.33333
130 4J7U YTZ 8.33333
131 1G3Q ADP 8.43882
132 4HDK 13X 8.48485
133 1ZDU P3A 8.57143
134 5UNJ RJW 8.57143
135 3HOK Q80 9.01288
136 4XU6 TDA 9.04762
137 6IIU A8X 9.09091
138 5J6D 6H5 9.12052
139 1ZSQ PIB 9.30233
140 4RW3 TDA 9.30233
141 1N20 3AG 9.30233
142 5N69 2OW 9.30233
143 1NQ7 HIS LYS ILE LEU HIS ARG LEU LEU GLN GLU 9.30233
144 1BRW URA 9.30233
145 2IMP LAC 9.30233
146 1NL5 MAL 9.30233
147 2GWH PCI 9.30233
148 1AUA BOG 9.45946
149 6AYI C3G 9.54774
150 5IGI ZIT 9.63455
151 5IGI GMP 9.63455
152 5EY0 GTP 9.85401
153 2VZZ SCA 10.0917
154 1HBK COA 10.1124
155 6FWH 5LD 10.1523
156 4DW4 U5P 10.1796
157 2E2R 2OH 10.2459
158 3COW 52H 10.299
159 5J6A P46 10.303
160 3GWL FAD 10.3774
161 2VDY HCY 10.4651
162 3T58 FAD 10.4651
163 3IQE F42 10.4651
164 3IQE H4M 10.4651
165 3KJD 78P 10.4651
166 5J47 6JJ 10.4651
167 5DYO FLU 10.4651
168 3BJC WAN 10.4651
169 1ESM COA 10.4651
170 2XN3 ID8 10.4651
171 4COL DTP 10.4651
172 1RV0 NDG 10.4651
173 2O1V ADP 10.4651
174 5U1M ACE LEU TYR ALA SER SER ASN PRO ALA PTR 10.4762
175 3UST FAD 10.4869
176 3GWN FAD 10.5263
177 4OKZ 3E9 10.6849
178 1WOR RED 10.7143
179 3HY2 ATP 10.9091
180 2QZO KN1 11.2403
181 2DSA GSH 11.33
182 2DSA HPX 11.33
183 1ELR ACE MET GLU GLU VAL ASP 11.4504
184 3UUA 0CZ 11.5538
185 3VHZ SOG 11.6279
186 3VHZ L2P GLC MAN SGA 11.6279
187 4M52 M52 11.6279
188 3AI3 SOE 11.6279
189 5NTW 98N 11.6279
190 4AZP A9M 11.6279
191 5MJI 7O6 11.6279
192 2I0G I0G 11.6279
193 3G5D 1N1 11.6279
194 2FTB OLA 11.6279
195 3AB1 FAD 11.6279
196 5EDE 5M6 11.6279
197 4LRL DGT 11.6279
198 4LRL TTP 11.6279
199 5N2D 8J8 11.8056
200 3PVT 3HC 11.8971
201 2ASF CIT 12.4088
202 2W90 6PG 12.4242
203 6ES0 BW8 12.6183
204 6D5H FV7 12.7907
205 6D56 FVM 12.7907
206 6D59 FVJ 12.7907
207 6D5G FVD 12.7907
208 6D55 FWA 12.7907
209 6BVJ EAS 12.7907
210 6BVK EAV 12.7907
211 6BVL EBY 12.7907
212 6BVI EC4 12.7907
213 6BVM EBV 12.7907
214 4URX FK1 12.7907
215 2C5A NAD 12.7907
216 2C5A GDC 12.7907
217 3KLL MAL 12.7907
218 2YPO PHE 12.7907
219 6D5V FVY 12.7907
220 5B0I BOG 12.7907
221 5BV6 35G 12.7907
222 2V57 PRL 12.7907
223 1EM6 CP4 12.7907
224 4PJT 2YQ 12.7907
225 6D5L FW7 12.7907
226 6ET8 BWH 12.7907
227 4A7W GTP 12.9167
228 3IS2 FAD 12.987
229 3CR3 ADP 13.0208
230 2RHO GDP 13.2308
231 3ANP DAO 13.2353
232 3RYC GTP 13.2867
233 5B25 4QJ 13.3333
234 5LGD PLM 13.4078
235 3D72 FAD 13.4228
236 3U5S FAD 13.4921
237 5MWE TCE 13.5802
238 1CZR FMN 13.6095
239 4I4B 1CV 13.9535
240 5AHS SIN 13.9535
241 2OZ5 7XY 13.9535
242 4RPO T6C 13.9535
243 2A06 SMA 13.9535
244 1LPD ADE 13.9535
245 4EKQ NPO 13.9535
246 3E8T UQ8 14.0909
247 5BYK A3P 14.2857
248 5BYK OAQ 14.2857
249 5LWY OLB 14.2857
250 3GF2 SAL 14.3836
251 5XNA SHV 14.4928
252 2V95 HCY 14.5455
253 3KC1 2T6 14.5455
254 2R40 EPH 14.6617
255 3QFJ LEU LEU PHE GLY PHE PRO VAL TYR VAL 15
256 3QDJ ALA ALA GLY ILE GLY ILE LEU THR VAL 15
257 5C0C ARG GLN PHE GLY PRO ASP TRP ILE VAL ALA 15
258 5JHD GLY ILE LEU GLY PHE VAL PHE THR LEU 15
259 4XT8 TMQ 15.1163
260 4JZX 476 15.1163
261 4MIB 28M 15.1163
262 4V3I ASP LEU THR ARG PRO 15.1163
263 4C9G CXT 15.1163
264 5V4R MGT 15.1163
265 2Q2Y MKR 15.1163
266 2Q2Y ADP 15.1163
267 4EOX 0S5 15.1163
268 3TMK T5A 15.1163
269 4JZB P2H 15.1163
270 5N8V KZZ 15.942
271 1OGA GLY ILE LEU GLY PHE VAL PHE THR LEU 16.2791
272 5ISZ GLY ILE LEU GLY PHE VAL PHE THR LEU 16.2791
273 3FWY ADP 16.2791
274 4AIG FLX 16.2791
275 1M2T ADE 16.2791
276 5OCA 9QZ 16.2791
277 2RH1 CLR 16.2791
278 3B99 U51 16.2791
279 1NU4 MLA 16.4948
280 5LXT GTP 16.7832
281 4LY9 S6P 17.4419
282 4LY9 1YY 17.4419
283 4N70 2HX 17.4419
284 3D9F FAD 17.4419
285 3WDM ADN 17.4419
286 6BOC EU7 18.5185
287 6BOC RIM 18.5185
288 5ZXD ATP 18.6047
289 2VW1 DAN 18.6047
290 3HST MLR 18.6047
291 1Z0S ATP 18.705
292 2WCJ M21 19.7674
293 4E2J MOF 19.7674
294 1P1M MET 19.7674
295 3SI2 PBD 19.7674
296 1ATL 0QI 19.7674
297 1EE0 CAA 19.7674
298 5IM3 DTP 19.7674
299 4WN5 MVC 20.8696
300 5DY5 5GR 20.9302
301 3A06 NDP 22.093
302 5Y9D FAD 22.093
303 2QQD AG2 22.6415
304 2QQC AG2 22.6415
305 1MT1 AG2 23.0769
306 1N13 AG2 23.0769
307 4YSX FAD 23.2558
308 3RV5 DXC 23.5955
309 3SE5 ANP 23.7805
310 2RHQ GAX 26.7442
311 5JF2 SF7 27.907
312 4B1V LAB 28.125
313 2QM9 TDZ 29.0323
314 4PVV HO4 29.0698
315 2NNQ T4B 29.771
316 1YMT DR9 35.7143
317 2DYR TGL 39.2857
318 2DYS TGL 39.2857
319 3FWN 6PG 39.5349
320 3FWN ATR 39.5349
321 1YP0 PEF 50
Pocket No.: 6; Query (leader) PDB : 1T0S; Ligand: BML; Similar sites found with APoc: 153
This union binding pocket(no: 6) in the query (biounit: 1t0s.bio2) has 10 residues
No: Leader PDB Ligand Sequence Similarity
1 5ET3 60C None
2 5XPL 8C9 2.21402
3 1VR0 3SL 3.23887
4 2HK9 NAP 3.27273
5 5URV NER 3.37838
6 4UCC ZKW 3.48837
7 4I06 X8A 3.48837
8 3QKT ANP 3.53982
9 4XOQ F42 3.86473
10 3SQP 3J8 3.9749
11 5NJI 8Z2 4.03727
12 1N83 CLR 4.07407
13 3V49 PK0 4.13534
14 3ROE THM 4.15094
15 3ZQE DXC 4.59016
16 5DRB 5FJ 4.65116
17 2A2C NG1 4.65116
18 2A2C ADP 4.65116
19 3MKH FAD 4.65116
20 1M13 HYF 4.65116
21 3PXP MYR 4.65116
22 3EBL GA4 4.65116
23 2O4J VD4 4.79452
24 5LY3 ADP 4.86111
25 4QVX 3CQ 5.38922
26 4LSJ LSJ 5.42636
27 5HCN DAO 5.74713
28 4RZ3 ADP 5.76271
29 1JQ9 PHE LEU SER TYR LYS 5.78512
30 5W7D PX8 5.81395
31 2ABS ACP 5.81395
32 3EKI TPP 5.81395
33 1ZED PNP 5.81395
34 4GFD 0YB 5.85366
35 3H2B SAH 5.91133
36 4CLI 5P8 6.11621
37 2H29 DND 6.34921
38 4MKF AP5 6.45161
39 3CH6 311 6.64336
40 3CH6 NAP 6.64336
41 4IAE 1DX 6.87831
42 4ONA UW1 6.97674
43 3VET ADP 6.97674
44 3VET CP 6.97674
45 3VET TOY 6.97674
46 3RS8 ALA TRP LEU PHE GLU ALA 6.97674
47 3QVP FAD 6.97674
48 4Q9M FPP 6.97674
49 4GU5 FAD 6.97674
50 4Q9M 2ZW 6.97674
51 5LLT DND 7.04225
52 5LX9 OLB 7.04225
53 1WUB OTP 7.30337
54 3HB5 E2B 7.33945
55 4AQL TXC 7.56302
56 5F8F SFG 7.69231
57 5X4Q 7Z6 7.80142
58 4Q3S X7A 8.05195
59 1F2U ATP 8.05369
60 1NYT NAP 8.13953
61 4CYI ATP 8.13953
62 2EV9 SKM 8.13953
63 2EV9 NAP 8.13953
64 4R6W PC 8.13953
65 1OLM VTQ 8.13953