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Receptor
PDB id Resolution Class Description Source Keywords
4M52 2.4 Å EC: 1.8.1.4 STRUCTURE OF MTB LPD BOUND TO SL827 MYCOBACTERIUM TUBERCULOSIS OXIDOREDUCTASE FLAVOPROTEIN GLYCOLYSIS REDOX-ACTIVE CENTE
Ref.: LIPOAMIDE CHANNEL-BINDING SULFONAMIDES SELECTIVELY MYCOBACTERIAL LIPOAMIDE DEHYDROGENASE. BIOCHEMISTRY V. 52 9375 2013
Ligand
Ligand Chain:Residue Validity Ligand Warnings Binding Data NGL Viewer Molecular Weight (Da) Formula SMILES
FAD A:501;
C:501;
D:501;
B:501;
Valid;
Valid;
Valid;
Valid;
none;
none;
none;
none;
submit data
785.55 C27 H33 N9 O15 P2 Cc1cc...
M52 A:502;
D:502;
C:502;
B:502;
Valid;
Valid;
Valid;
Valid;
none;
none;
none;
none;
Ki = 140 nM
429.289 C15 H17 Br N4 O4 S C[N@@...
View in 3D viewer
90% Homology Family
Leader
PDB id Resolution Class Description Source Keywords
4M52 2.4 Å EC: 1.8.1.4 STRUCTURE OF MTB LPD BOUND TO SL827 MYCOBACTERIUM TUBERCULOSIS OXIDOREDUCTASE FLAVOPROTEIN GLYCOLYSIS REDOX-ACTIVE CENTE
Ref.: LIPOAMIDE CHANNEL-BINDING SULFONAMIDES SELECTIVELY MYCOBACTERIAL LIPOAMIDE DEHYDROGENASE. BIOCHEMISTRY V. 52 9375 2013
Members (2)
No: PDB id Binding Data Representative ligand Formula Smiles
The Class containing this family consists of a total of 10 families.
1 3II4 Ki = 865 nM 3II C32 H34 Cl2 N4 O5 COc1ccc(c(....
2 4M52 Ki = 140 nM M52 C15 H17 Br N4 O4 S C[N@@](CC(....
70% Homology Family (2)
No: PDB id Binding Data Representative ligand Formula Smiles
The Class containing this family consists of a total of 8 families.
1 3II4 Ki = 865 nM 3II C32 H34 Cl2 N4 O5 COc1ccc(c(....
2 4M52 Ki = 140 nM M52 C15 H17 Br N4 O4 S C[N@@](CC(....
50% Homology Family (4)
No: PDB id Binding Data Representative ligand Formula Smiles
The Class containing this family consists of a total of 1 families.
1 4M52 Ki = 140 nM M52 C15 H17 Br N4 O4 S C[N@@](CC(....
2 1ZK7 - FAD C27 H33 N9 O15 P2 Cc1cc2c(cc....
3 1ZX9 - FAD C27 H33 N9 O15 P2 Cc1cc2c(cc....
4 4JDR - FAD C27 H33 N9 O15 P2 Cc1cc2c(cc....
Polypharmacology
Similar Ligands
Ligand no: 1; Ligand: FAD; Similar ligands found: 128
No: Ligand ECFP6 Tc MDL keys Tc
1 FAD 1 1
2 FAS 1 1
3 FAY 0.859259 0.9875
4 RFL 0.852941 0.963855
5 6FA 0.794118 0.987654
6 FAE 0.751773 0.987654
7 SFD 0.651007 0.860215
8 FDA 0.641892 0.906977
9 FNK 0.602564 0.876405
10 62F 0.572327 0.939024
11 F2N 0.566265 0.886364
12 FMN 0.543307 0.876543
13 FA9 0.526316 0.939759
14 6YU 0.516304 0.860215
15 P6G FDA 0.511628 0.908046
16 FAD NBT 0.508876 0.83871
17 A2D 0.504065 0.875
18 P5F 0.491329 0.941176
19 FAD CNX 0.488506 0.8125
20 AR6 0.488372 0.851852
21 APR 0.488372 0.851852
22 AGS 0.484615 0.811765
23 SAP 0.484615 0.811765
24 M33 0.484375 0.864198
25 BA3 0.484127 0.875
26 HEJ 0.48062 0.851852
27 ATP 0.48062 0.851852
28 ADP 0.480315 0.851852
29 B4P 0.480315 0.875
30 AP5 0.480315 0.875
31 ANP 0.477273 0.831325
32 AQP 0.476923 0.851852
33 5FA 0.476923 0.851852
34 48N 0.469388 0.902439
35 OAD 0.467626 0.876543
36 9X8 0.467626 0.833333
37 FAD NBA 0.467033 0.793814
38 GTA 0.465753 0.892857
39 AN2 0.465116 0.841463
40 AT4 0.465116 0.821429
41 AD9 0.462121 0.831325
42 3OD 0.460993 0.876543
43 RBF 0.460938 0.790123
44 FB0 0.460606 0.835165
45 139 0.460526 0.858824
46 AP0 0.46 0.835294
47 A22 0.459854 0.864198
48 ACP 0.458015 0.853659
49 8QN 0.456522 0.864198
50 PRX 0.454545 0.831325
51 A3R 0.453237 0.86747
52 A1R 0.453237 0.86747
53 G3A 0.452055 0.902439
54 T5A 0.45098 0.872093
55 G5P 0.44898 0.902439
56 ATF 0.448529 0.821429
57 50T 0.44697 0.819277
58 6YZ 0.445255 0.853659
59 ACQ 0.444444 0.853659
60 CNV FAD 0.443182 0.917647
61 ADQ 0.442857 0.853659
62 PAJ 0.442857 0.847059
63 5AL 0.441176 0.864198
64 ADX 0.439394 0.775281
65 CA0 0.439394 0.853659
66 A4P 0.437909 0.831461
67 25L 0.4375 0.864198
68 P33 FDA 0.436464 0.817204
69 5SV 0.435714 0.793103
70 OMR 0.434211 0.818182
71 TXE 0.434211 0.890244
72 ABM 0.434109 0.829268
73 A 0.433071 0.82716
74 AMP 0.433071 0.82716
75 4AD 0.432624 0.855422
76 ADJ 0.432258 0.818182
77 B5M 0.431507 0.878049
78 B5Y 0.431507 0.878049
79 BIS 0.430556 0.802326
80 SRA 0.429688 0.788235
81 AFH 0.42953 0.825581
82 NXX 0.427632 0.865854
83 DND 0.427632 0.865854
84 UP5 0.427632 0.878049
85 6V0 0.427632 0.857143
86 TXD 0.427632 0.890244
87 DQV 0.426667 0.8875
88 SRP 0.42446 0.843373
89 PR8 0.423611 0.837209
90 T99 0.423358 0.821429
91 TAT 0.423358 0.821429
92 AMO 0.422535 0.865854
93 TXA 0.42069 0.865854
94 FYA 0.42069 0.864198
95 PTJ 0.42069 0.835294
96 CNA 0.420382 0.865854
97 00A 0.41958 0.823529
98 AHX 0.41958 0.835294
99 MAP 0.41844 0.811765
100 NAI 0.418301 0.845238
101 AU1 0.41791 0.831325
102 A12 0.416667 0.843373
103 AP2 0.416667 0.843373
104 25A 0.415493 0.851852
105 9ZA 0.415493 0.845238
106 9ZD 0.415493 0.845238
107 COD 0.415094 0.842697
108 4TC 0.412903 0.879518
109 APC 0.411765 0.843373
110 ME8 0.410959 0.806818
111 1ZZ 0.410959 0.806818
112 NB8 0.410959 0.835294
113 4UW 0.409091 0.825581
114 NAX 0.409091 0.837209
115 F2R 0.408805 0.850575
116 RBY 0.408759 0.843373
117 ADV 0.408759 0.843373
118 P1H 0.405882 0.818182
119 OOB 0.405594 0.864198
120 LAD 0.40411 0.825581
121 A A 0.40411 0.829268
122 UPA 0.403846 0.86747
123 4UU 0.401316 0.833333
124 GA7 0.401316 0.865854
125 A3D 0.401235 0.876543
126 80F 0.401235 0.808989
127 XAH 0.4 0.806818
128 DLL 0.4 0.864198
Ligand no: 2; Ligand: M52; Similar ligands found: 1
No: Ligand ECFP6 Tc MDL keys Tc
1 M52 1 1
Similar Binding Sites (Proteins are less than 50% similar to leader)
Pocket No.: 1; Query (leader) PDB : 4M52; Ligand: FAD; Similar sites found with APoc: 1004
This union binding pocket(no: 1) in the query (biounit: 4m52.bio2) has 84 residues
No: Leader PDB Ligand Sequence Similarity
1 2PV7 NAD 1.00671
2 1V8B NAD 1.28755
3 5M67 3D1 1.28755
4 5M67 ADE 1.28755
5 5M67 NAD 1.28755
6 5C9P FUC 1.31234
7 4HXY NDP 1.36986
8 5WP5 SAH 1.42566
9 6DNT NAD 1.45349
10 1RM4 NDP 1.48368
11 2Q1W NAD 1.5015
12 3DUW SAH 1.50215
13 2BHZ MAL 1.50215
14 2D7I UDP 1.50215
15 5BXV MGP 1.5625
16 1EJ4 M7G 1.57895
17 1EJH M7G 1.57895
18 6F7L FAD 1.58371
19 1H3F TYE 1.62037
20 3MAG SAH 1.62866
21 1SQF SAM 1.6317
22 3MCT SAH 1.6835
23 4YAC NAI 1.6835
24 5EB4 FAD 1.71674
25 4B63 ORN 1.71674
26 4B63 NAP 1.71674
27 4B63 FAD 1.71674
28 1UWK URO 1.71674
29 1UWK NAD 1.71674
30 5FAW CHT 1.71674
31 5GQX GLC GLC GLC GLC GLC GLC GLC 1.71674
32 2HHP FLC 1.71674
33 5X62 SAH 1.72414
34 2B4R AES 1.73913
35 2B4R NAD 1.73913
36 1NVT NAP 1.74216
37 1KPG SAH 1.74216
38 2C29 NAP 1.78042
39 3AXB PRO 1.78571
40 3AXB FAD 1.78571
41 2VTD LKM 1.79775
42 6C8R SAH 1.84697
43 1P0F NAP 1.87668
44 3OA2 NAD 1.88679
45 2FK8 SAM 1.88679
46 1GR0 NAD 1.90736
47 3GDN HBX 1.93133
48 3GDN FAD 1.93133
49 3PT9 SAH 1.93133
50 4JUI EGR 1.93133
51 1UXG NAD 1.94175
52 1UXG FUM 1.94175
53 1YKF NAP 1.98864
54 3H9E NAD 2.02312
55 2AOT SAH 2.05479
56 1JQD SAH 2.05479
57 4MP8 MLI 2.0649
58 4MP8 NAD 2.0649
59 3V1Y NAD 2.07715
60 1CF2 NAP 2.07715
61 4ZCC FAD 2.08333
62 4ZCC NAI 2.08333
63 2HNK SAH 2.09205
64 1WG8 SAM 2.10526
65 1B8U NAD 2.12766
66 5ZYN FAD 2.14592
67 1HDG NAD 2.14592
68 4ISS TAR 2.14592
69 1QMG APX 2.14592
70 4DCT GDP 2.14592
71 1P3D UMA 2.14592
72 1P31 EPU 2.14592
73 2B5W NAP 2.14592
74 1FP1 SAH 2.15054
75 2BZG SAH 2.15517
76 1UP7 NAD 2.15827
77 1E1M FAD 2.17391
78 1E1M NAP 2.17391
79 4BA5 PXG 2.17865
80 5BJX NAD 2.18579
81 5BJX UDP 2.18579
82 1VQW FAD 2.18818
83 1PJS NAD 2.18818
84 1H2B NAJ 2.22841
85 5A1S FLC 2.23214
86 1UPF URF 2.23214
87 2GV8 FAD 2.23714
88 2GVC FAD 2.23714
89 2GV8 NDP 2.23714
90 1FWV SGA MAG FUC 2.23881
91 5ARK UMP 2.23881
92 5E9W SAH 2.24359
93 5E8J SAH 2.24359
94 1GOJ ADP 2.25352
95 1FP2 SAH 2.27273
96 3WBF NAP 2.29508
97 3WBF API 2.29508
98 3WGT QSC 2.30548
99 3WGT FAD 2.30548
100 5A3B APR 2.31023
101 5E72 SAM 2.31214
102 5Z20 NAI 2.31884
103 2PXX SAH 2.32558
104 4Z24 FAD 2.36052
105 6C4N NAP 2.36052
106 2I3G NAP 2.36052
107 3HNC TTP 2.36052
108 5ERG SAM 2.36052
109 1LJ8 NAD 2.36052
110 1M2W NAD 2.36052
111 4TVD BGC 2.36052
112 1G60 SAM 2.36052
113 3CB2 GDP 2.36052
114 2AWN ADP 2.3622
115 4YCA NDP 2.38095
116 1Q8P MAN MMA 2.38095
117 2GND MAN 2.38095
118 5AOV NAP 2.38095
119 2GMP NAG MAN 2.38095
120 3V1U NAD 2.38095
121 5NUF NAD 2.40964
122 1SZ2 BGC 2.40964
123 5NUE NAD 2.40964
124 1NF8 BOG 2.41546
125 3L9W AMP 2.42131
126 3L9W GSH 2.42131
127 5G4L NDP 2.44755
128 1NV8 MEQ 2.46479
129 1NV8 SAM 2.46479
130 5EOW FAD 2.46914
131 1SC6 NAD 2.47525
132 3G5S FAD 2.48307
133 1F3L SAH 2.49221
134 1GZ6 NAI 2.50784
135 1XG5 NAP 2.50896
136 3BXO SAM 2.51046
137 5NE2 DGL 2.51799
138 1MUU NAD 2.52294
139 4KRI SAH 2.54042
140 3LCC SAH 2.55319
141 5X68 FAD 2.55754
142 1QO8 FAD 2.57511
143 1GPE FAD 2.57511
144 3X0D SAH 2.57511
145 3VPH NAD 2.57511
146 6ER9 FAD 2.57511
147 3VPH OXM 2.57511
148 6ER9 NAP 2.57511
149 2B56 U5P 2.57511
150 4KVL PLM 2.57511
151 2UZ1 TPP 2.57511
152 5N2I NAP 2.58621
153 1HYH NAD 2.589
154 5KVS NAP 2.5974
155 2P41 SAH 2.62295
156 3QJ4 FAD 2.63158
157 4YUW 4JU 2.63158
158 4YUW S4M 2.63158
159 1W8D NAP 2.64901
160 2AG8 NAP 2.6616
161 4DCM SAM 2.66667
162 3ZYR ASN NAG NAG BMA MAN MAN NAG NAG 2.68199
163 4Z0H NAD 2.69461
164 3BAZ NAP 2.7027
165 1JQ3 AAT 2.7027
166 1V6A TRE 2.71084
167 5Y8L NAD 2.71186
168 5Y8L HUI 2.71186
169 6ACS CIT 2.71318
170 6BQ6 TER 2.71903
171 2V6G NAP 2.74725
172 5Z75 NAD 2.75229
173 1MV8 NAD 2.75229
174 1XTP SAI 2.75591
175 3B1F NAD 2.75862
176 1FIW PBZ 2.75862
177 1WP4 NDP 2.76817
178 1TPY SAH 2.78746
179 3GMB FAD 2.7897
180 4B2D SER 2.7897
181 1VKO NAD 2.7897
182 4DMG SAM 2.79898
183 2CFC KPC 2.8
184 5O6Y 5YA 2.80374
185 3GCZ SAM 2.83688
186 2WK1 SAH 2.83688
187 3SSO SAH 2.86396
188 4GK9 MAN BMA MAN MAN MAN 2.86738
189 4ZRN NAD 2.88462
190 3EVG SAH 2.90909
191 4NBT NAD 2.91667
192 3VYW SAM 2.92208
193 5U19 SAH 2.93255
194 5U19 827 2.93255
195 1XDS SAM 2.94118
196 3H2B SAH 2.95567
197 3EF0 ALF 2.95699
198 1D4D FAD 2.97203
199 1XCL SAH 2.97872
200 4MDH NAD 2.99401
201 1VL8 NAP 2.99625
202 1J49 NAD 3.003
203 5MDH NAD 3.003
204 5MBX FAD 3.00429
205 5MBX SP5 3.00429
206 5G3U FDA 3.00429
207 5G3U ITW 3.00429
208 4MIG G3F 3.00429
209 3Q9T FAY 3.00429
210 3BGD SAH 3.00429
211 1J0X NAD 3.01205
212 5OJL TXP 3.02013
213 2HJR APR 3.04878
214 5E4R NAP 3.06122
215 1R18 SAH 3.0837
216 1Q0S SAH 3.0888
217 5ZBC FAD 3.10421
218 2PT9 S4M 3.11526
219 2PT9 2MH 3.11526
220 3GFB NAD 3.14286
221 1Q9I TEO 3.15236
222 1Q9I FAD 3.15236
223 3QXV MTX 3.1746
224 2YLN CYS 3.18021
225 5CAE COA 3.19489
226 5CAE SIN 3.19489
227 4JJF FE9 3.19767
228 4JJF N2I 3.19767
229 4YT4 FE9 3.2
230 5VYH FOL 3.207
231 5A96 GTP 3.21285
232 1O5I NAD 3.21285
233 1M2K APR 3.21285
234 1YY5 FAD 3.21888
235 2GMH FAD 3.21888
236 1RSG FAD 3.21888
237 4IV9 FAD 3.21888
238 4YNU LGC 3.21888
239 4YNU FAD 3.21888
240 1X87 NAD 3.21888
241 5HSA FAS 3.21888
242 6C4M NAP 3.21888
243 3A06 NDP 3.21888
244 5EVY FAD 3.21888
245 4AF0 IMP 3.21888
246 2F1K NAP 3.22581
247 3K7M FAD 3.24826
248 5AHO TLA 3.27381
249 3HDY FDA 3.27456
250 3HDY FAD 3.27456
251 3HDY GDU 3.27456
252 1IM8 SAI 3.27869
253 2O07 MTA 3.28947
254 2O07 SPD 3.28947
255 4PLG NAI 3.29341
256 4PLG OXM 3.29341
257 5NMX FAD 3.29412
258 5NMX NAP 3.29412
259 5DN9 NAD 3.2967
260 1YJQ NAP 3.30033
261 2D3S TNR 3.30579
262 1N2X SAM 3.32226
263 6C4T NA7 3.33333
264 4YMH SAH 3.33333
265 1VI2 NAD 3.33333
266 2RNF UM3 3.33333
267 3G2O SAM 3.34448
268 3Q3C NAD 3.34448
269 4EUE NAI 3.34928
270 3H5N ATP 3.39943
271 4TQG NDP 3.40557
272 1I36 NAP 3.40909
273 1VL0 NAI 3.42466
274 5HXI FAD 3.43008
275 5HXI 5HN 3.43008
276 2VVL FAD 3.43348
277 1PN0 IPH 3.43348
278 2VVM FAD 3.43348
279 1PN0 FAD 3.43348
280 1A5Z NAD 3.43348
281 4EIP FAD 3.43348
282 4MOP 2H5 3.43348
283 5J7X FAD 3.43348
284 4EIP K2C 3.43348
285 5DNK SAH 3.43348
286 4DSG FAD 3.43348
287 4DSG UDP 3.43348
288 2Q28 ADP 3.43348
289 3TWO NDP 3.44828
290 5UJ3 CE4 3.44828
291 1NPD NAD 3.47222
292 5CMK LY5 3.4749
293 1CDO NAD 3.47594
294 1KGZ PRP 3.47826
295 1NVM NAD 3.47826
296 6ECU SAH 3.48101
297 2RGJ FAD 3.48259
298 4N49 SAM 3.50467
299 1P1C SAH 3.51759
300 1KOL NAD 3.51759
301 2I7C AAT 3.53357
302 5ZW3 SAH 3.55556
303 1I9G SAM 3.57143
304 3CL7 HYN 3.57143
305 5BSH PRO 3.61011
306 1K3T BRZ 3.62117
307 1CER NAD 3.62538
308 1L3I SAH 3.64583
309 3E1T FAD 3.64807
310 1KNR FAD 3.64807
311 3UCL NAP 3.64807
312 3UCL CYH 3.64807
313 3UCL FAD 3.64807
314 4AP3 FAD 3.64807
315 4AP3 NAP 3.64807
316 1DJN ADP 3.64807
317 2JB2 PHE 3.64807
318 2JB2 FAD 3.64807
319 3LRE ADP 3.66197
320 1H8P PC 3.66972
321 3NYC FAD 3.67454
322 3NYC IAR 3.67454
323 6EL3 NAP 3.67454
324 5TUK FAD 3.67647
325 5GZ6 NDP 3.68098
326 5GZ6 7C3 3.68098
327 2D2I NAP 3.68421
328 4AF5 CIT 3.68421
329 1QAN SAH 3.68852
330 2EJU SAH 3.7037
331 1X7D NAD 3.71429
332 2VT3 ATP 3.72093
333 4GGL CJC 3.72093
334 5DWQ SFG 3.72493
335 5DX8 SFG 3.72493
336 5DX1 SFG 3.72493
337 5DXA SFG 3.72493
338 5DX0 SFG 3.72493
339 5U5G NAP 3.72881
340 1X14 NAD 3.74065
341 2EG5 SAH 3.76344
342 2YYY NAP 3.79009
343 1G55 SAH 3.79009
344 3U31 NAD 3.7931
345 3GWZ SAH 3.79404
346 3GXO SAH 3.79404
347 2EV9 SKM 3.80228
348 2EV9 NAP 3.80228
349 6C5B SAH 3.81232
350 5W3K NDP 3.82353
351 5W3K 9TY 3.82353
352 2FWP ICR 3.82514
353 2RI1 GLP 3.82979
354 5ZI9 FLC 3.84615
355 1ZQ9 SAM 3.85965
356 4JK3 NAD 3.861
357 4USR FAD 3.86266
358 3NKS FAD 3.86266
359 1H82 FAD 3.86266
360 1H82 GZZ 3.86266
361 2WET FAD 3.86266
362 4D04 NAP 3.86266
363 4D04 FAD 3.86266
364 5AYV NAP 3.86266
365 5HJM MTA 3.86266
366 1QPB PYM 3.86266
367 5AYV KPL 3.86266
368 5I0H ADP BEF 3.86266
369 4D3F NAP 3.87097
370 1SAY PYR 3.87812
371 2DBZ NAP 3.89222
372 5Z21 NAI 3.91061
373 4K5S FAD 3.91791
374 4K5S PM0 3.91791
375 4KIB SAH 3.92157
376 2NXE SAM 3.93701
377 4E5N NAD 3.93939
378 4D7E FAD 3.9627
379 1SOW NAD 3.96341
380 3KP6 SAL 3.97351
381 4RQU NAD 4
382 5N6C NAD 4
383 3P2E SAH 4
384 1E5Q NDP 4
385 4W6Z 8ID 4.03458
386 2CH5 NDG 4.03458
387 2CH5 NAG 4.03458
388 5UAV NDP 4.03727
389 5UAV TFB 4.03727
390 3GRU AMP 4.0678
391 1HSR BHO 4.06977
392 1IZO PAM 4.07674
393 4YSX FAD 4.07725
394 6FHO FAD 4.07725
395 2IID PHE 4.07725
396 2IID FAD 4.07725
397 5YB7 ORN 4.07725
398 5YB7 FAD 4.07725
399 5WGR FAD 4.07725
400 5X20 NAD 4.07725
401 5FUB SAH 4.07725
402 1Y8Q ATP 4.07725
403 2GCG NDP 4.07725
404 2AJH MET 4.08163
405 3KIH GDL 4.12371
406 3B20 NAD 4.12979
407 3B1J NAD 4.12979
408 3DCM SAM 4.16667
409 3JQ7 DX2 4.16667
410 5JDC NAP 4.16667
411 3JQA NAP 4.16667
412 3BMN NAP 4.16667
413 4CLR NAP 4.16667
414 5JDI NAP 4.16667
415 3JQF NAP 4.16667
416 3BMO NAP 4.16667
417 5K6A NAP 4.16667
418 3JQ7 NAP 4.16667
419 4CM8 NAP 4.16667
420 3BMQ NAP 4.16667
421 4CM4 NAP 4.16667
422 5JCJ NAP 4.16667
423 3JQ8 NAP 4.16667
424 1Z82 NDP 4.1791
425 1KPH SAH 4.18118
426 4OM8 NAD 4.20712
427 2GLX NDP 4.21687
428 3TW1 AHN 4.21941
429 3HAD NAD 4.22078
430 4PLT NAI 4.22961
431 4PLT OXM 4.22961
432 1TL2 NDG 4.23729
433 2B9W FAD 4.24528
434 2Y6Q FAD 4.27136
435 2Y6Q I7T 4.27136
436 3AB4 LYS 4.27553
437 4OBW SAM 4.28016
438 3IHG FAD 4.29185
439 5BRT FAD 4.29185
440 2ZXI FAD 4.29185
441 1GTE FAD 4.29185
442 4FWE FAD 4.29185
443 2Z3Y F2N 4.29185
444 5BRT CH9 4.29185
445 5KOX RFP 4.29185
446 5KOX FAD 4.29185
447 2AQJ TRP 4.29185
448 2AQJ FAD 4.29185
449 5FJN FAD 4.29185
450 5MQ6 NDP 4.29185
451 1COY AND 4.29185
452 1COY FAD 4.29185
453 4C3Y FAD 4.29185
454 5FJN BE2 4.29185
455 4C3Y ANB 4.29185
456 1GQ2 NAP 4.29185
457 6CEP NAD 4.29185
458 4KRG SAH 4.29185
459 3UOY NAP 4.29185
460 3UOY FAD 4.29185
461 2YIV YIV 4.29185
462 6CEP OXM 4.29185
463 3ORF NAD 4.29185
464 2HI4 BHF 4.29185
465 6AA8 NAD 4.30464
466 6AIN FAD 4.30622
467 1YKJ FAD 4.31472
468 1YKJ PHB 4.31472
469 3A25 SAM 4.31894
470 2BOY BHO 4.33071
471 4NTO 1PW 4.34783
472 1WY7 SAH 4.34783
473 5MPT SAH 4.34783
474 4HY1 19X 4.35897
475 4XDZ NDP 4.37318
476 3A4T SFG 4.37956
477 5MTE BB2 4.37956
478 1LLU NAD 4.38596
479 3ZG6 APR 4.39189
480 6HKE MLT 4.40252
481 6HKE LMR 4.40252
482 4ZGS NAD 4.40415
483 5I39 FAD 4.41176
484 2YG3 FAD 4.41501
485 5O0J 8BR 4.41501
486 3FUU ADN 4.42804
487 5BUK FAD 4.44444
488 2QV7 ADP 4.45104
489 2VOH CIT 4.4586
490 3DMH SAM 4.46194
491 3DMH GMP 4.46194
492 5ULP KB1 4.47761
493 2WD7 NAP 4.47761
494 1ZGA SAH 4.48179
495 2XYQ SAH 4.48276
496 2XWL CTP 4.4843
497 1C3V NDP 4.4898
498 2JCB ADP 4.5
499 1DSS NAD 4.5045
500 2BRY FAD 4.50644
501 4REP FAD 4.50644
502 3AYI FAD 4.50644
503 3AYI HCI 4.50644
504 2DKH FAD 4.50644
505 2DKH 3HB 4.50644
506 4TXI FAD 4.50644
507 4AT0 FAD 4.50644
508 2CDC NAP 4.50644
509 2CDC XYS 4.50644
510 9LDT NAD 4.50644
511 9LDB NAD 4.50644
512 3C6K SPD 4.50644
513 3C6K MTA 4.50644
514 2CDC XYP 4.50644
515 4RPL FAD 4.51128
516 4RPL 3UC 4.51128
517 2P39 SCR 4.51613
518 2UYQ SAM 4.51613
519 1O94 ADP 4.54545
520 1UAY ADN 4.54545
521 4TSK NDP 4.57143
522 1WPQ NAD 4.58453
523 3DXY SAM 4.58716
524 1U1I NAD 4.59184
525 1E3W NAD 4.5977
526 1R37 NAD 4.61095
527 4LWP SAH 4.61957
528 5H81 NAP 4.62725
529 5TWB FAD 4.65116
530 1OMO NAD 4.65839
531 2DC1 NAD 4.66102
532 2JJQ SAH 4.70588
533 5A04 NDP 4.71976
534 5A04 BGC 4.71976
535 5TS5 FAD 4.72103
536 1NAA ABL 4.72103
537 1NAA 6FA 4.72103
538 1O0S NAI 4.72103
539 4J1Q NDP 4.72103
540 4ZVV NAD 4.72103
541 4ZVV GN0 4.72103
542 1REO FAD 4.73251
543 5HS2 CTP 4.74138
544 4RF2 NAP 4.77941
545 4X9M FAD 4.78469
546 2D0O ADP 4.8
547 1DJL NAP 4.83092
548 1V1A ADP 4.85437
549 4OPC PGT 4.85651
550 4OPC FDA 4.85651
551 6GAR FAD 4.87106
552 6A3J NAI 4.87805
553 3GU3 SAH 4.92958
554 5X9D 80F 4.93421
555 5OC1 FAD 4.93562
556 1C0I BE2 4.93562
557 1C0I FAD 4.93562
558 4CJX NAP 4.93562
559 3GGO NAI 4.93562
560 3GGO ENO 4.93562
561 1MJH ATP 4.93827
562 4BJZ P3A 4.95283
563 4BJZ FAD 4.95283
564 6DUB SAH 4.95496
565 1RYI GOA 4.97382
566 1RYI FAD 4.97382
567 5G6U TRP 4.98084
568 3C1O NAP 4.98442
569 5YEC ATP 5
570 1EJ0 SAM 5
571 1PNO NAP 5
572 1LTH NAD 5.01567
573 3WMX NAD 5.02793
574 4ONQ SFG 5.04202
575 3WV8 ATP 5.04587
576 5GZZ GSH 5.04587
577 2WA2 SAM 5.07246
578 4BVA NDP 5.07463
579 3KB6 NAD 5.08982
580 4LNU GDP 5.09978
581 6GNC FAD 5.10204
582 1JG3 ADN 5.10638
583 1KJ8 GAR 5.11509
584 3I53 SAH 5.12048
585 5BVA FAD 5.13447
586 1J5P NAD 5.13834
587 4C1Q SAH 5.14286
588 1PS9 FAD 5.15021
589 5N0J FAD 5.15021
590 4U8P FDA 5.15021
591 4U8P UDP 5.15021
592 1PS9 NAP 5.15021
593 2IXB NAD 5.15021
594 6BII NAP 5.15021
595 1EZ4 NAD 5.15021
596 2O4C NAD 5.15021
597 2ZFU SAH 5.15021
598 2IXB A2G 5.15021
599 4XFR CIT 5.15223
600 1GV0 NAD 5.16129
601 1GUZ NAD 5.16129
602 3QOX SAH 5.16432
603 3ABI NAD 5.20548
604 6GNA FAD 5.20833
605 4RDH AMP 5.20833
606 4RDI ATP 5.20833
607 1Y9Q MED 5.20833
608 3K5I AIR 5.21092
609 3FPZ AHZ 5.21472
610 5D4V SAH 5.22388
611 1DIG NAP 5.22876
612 5YF1 SFG 5.24862
613 3B6O TMP 5.26316
614 2RGO FAD 5.27183
615 1WVG APR 5.29248
616 4JNA FAD 5.29412
617 1I1N SAH 5.30973
618 1RL4 BRR 5.31915
619 4XDY NAI 5.32544
620 2YX1 SFG 5.35714
621 2J0B UDP 5.35714
622 4J36 1HR 5.36481
623 4J36 FAD 5.36481
624 2DFV NAD 5.36481
625 3HQP FDP 5.36481
626 4DPL NAP 5.36481
627 2PK3 A2R 5.36481
628 4CNK FAD 5.37084
629 4NTC FAD 5.37313
630 5OFW 9TW 5.38117
631 1D4O NAP 5.43478
632 2Q0L FAD 5.46624
633 2Q0L NAP 5.46624
634 1E6E FAD 5.46875
635 2C7G FAD 5.48246
636 2C7G ODP 5.48246
637 5OCM NAP 5.49828
638 4SGA ACE PRO ALA PRO PHE 5.52486
639 3CIF NAD 5.57103
640 3CIF G3H 5.57103
641 2D3N GLC GLC GLC 5.5794
642 3ULK NDP 5.5794
643 4PIV NDP 5.5794
644 3CBG SAH 5.60345
645 2RGH FAD 5.6042
646 5JE8 NAD 5.62914
647 1YS4 NAP 5.64972
648 1ELI PYC 5.65553
649 1DL5 SAH 5.67823
650 6FDF SAH 5.68862
651 5GT9 NAP 5.70342
652 2V6A CAP 5.71429
653 2V67 CAP 5.71429
654 2V68 CAP 5.71429
655 2E5V FAD 5.72034
656 5N5D SAM 5.75221
657 3LU1 NAD 5.76923
658 2R4J FAD 5.78842
659 2R4J 13P 5.78842
660 1GY8 NAD 5.79345
661 5EZ7 FAD 5.79399
662 2HK9 ATR 5.81818
663 2HK9 NAP 5.81818
664 3H8V ATP 5.82192
665 5A1T OXM 5.8651
666 5A1T NAI 5.8651
667 4XYB NDP 5.88235
668 2NU8 COA 5.90278
669 6E8I PTR 5.91716
670 2A92 NAI 5.919
671 1L1E SAH 5.92335
672 1UZD CAP 5.97015
673 2DPM SAM 5.98592
674 1KYQ NAD 6.00858
675 2JHP SAH 6.00858
676 5LD5 NAD 6.00858
677 1KYZ SAH 6.0274
678 3OJO NAD 6.03248
679 3ZNN FAD 6.05187
680 3ZNN 4WL 6.05187
681 5K0A FAD 6.06061
682 5KKA 6V0 6.08974
683 5N53 8NB 6.15385
684 4D79 ATP 6.15942
685 2DT5 NAD 6.16114
686 2GJ5 VD3 6.17284
687 5O4J PJL 6.20438
688 5O4J 9KH 6.20438
689 5O4J SAH 6.20438
690 5BW4 SAM 6.22318
691 2W41 ADP 6.22318
692 1GZ4 ATP 6.22318
693 2GNK ATP 6.25
694 3S5W NAP 6.2635
695 3S5W FAD 6.2635
696 1O6Z NAD 6.27063
697 1RP0 AHZ 6.33803
698 5NM7 GLY 6.39098
699 2ZIF SAM 6.39731
700 5W7B MYR 6.3981
701 2CVQ NDP 6.42202
702 4B4U NAP 6.43777
703 4AZW SAM 6.43777
704 4NEC SAH 6.43939
705 3JWH SAH 6.45161
706 3O7W SAM 6.46258
707 2F7A BEZ 6.46552
708 1DLJ NAI 6.46766
709 1DLJ UGA 6.46766
710 2VDV SAM 6.50407
711 4P86 5GP 6.55738
712 4WJT NAG 6.58683
713 4JAL SAH 6.58683
714 2PWY SAH 6.58915
715 4KOA NDP 6.60661
716 1F8F NAD 6.65236
717 1Z45 NAD 6.65236
718 1D1T NAD 6.70241
719 1EBF NAD 6.70391
720 2F5X ASP 6.73077
721 4RSL FAD 6.74157
722 1BXK NAD 6.76056
723 1EQ2 NAP 6.77419
724 3L4S NAD 6.84524
725 3L4S 3PG 6.84524
726 1PL6 NAD 6.86695
727 6H3O FAD 6.86695
728 4C4A SAH 6.86695
729 1PL6 572 6.86695
730 5UR0 NAD 6.87679
731 5EES NAP 6.88259
732 3LST SAH 6.89655
733 4USQ FAD 6.92521
734 2VYN NAD 6.94864
735 5ZI2 ADP 6.95652
736 5ZI2 NAD 6.95652
737 1GAD NAD 6.9697
738 3DAG FEG 6.98324
739 5LOG SAH 7.08154
740 1HKU NAD 7.08154
741 5TUF TDC 7.09046
742 5TUF FAD 7.09046
743 3ITJ FAD 7.10059
744 3ITJ CIT 7.10059
745 2ZHZ ATP 7.10383
746 5ODQ FAD 7.14286
747 5ODQ 9SB 7.14286
748 5XVH NAP 7.18954
749 3TLJ SAH 7.23861
750 1ZEM NAD 7.25191
751 2OEM 1AE 7.26392
752 1LDN NAD 7.27848
753 1LDM NAD 7.29483
754 2QA1 FAD 7.29614
755 3OND ADN 7.29614
756 3OND NAD 7.29614
757 2CUL FAD 7.32759
758 1G6H ADP 7.393
759 2BTO GTP 7.40741
760 4E13 NAD 7.42049
761 5J6Y BGC 7.44681
762 5J6Y GLC 7.44681
763 1VJT NAD 7.45342
764 3X0V FAD 7.51073
765 5JJR SAH 7.51073
766 2XVM SAH 7.53769
767 1JAY NAP 7.54717
768 1TDF FAD 7.59494
769 1TDF NAP 7.59494
770 3HVJ 705 7.69231
771 4L8V NAP 7.71513
772 1P77 ATR 7.72059
773 3VY6 BGC BGC 7.72532
774 5YRJ BGC GLC 7.74648
775 5YRF GLC GLC 7.74648
776 2QQF A1R 7.79221
777 4XUC SAM 7.79817
778 4XUC 43G 7.79817
779 3LF0 ATP 7.89474
780 6BWL NAD 7.92683
781 3QVP FAD 7.93991
782 3OZ2 FAD 8.06045
783 4GUS FAD 8.06452
784 4GUT FAD 8.06452
785 4HSU FAD 8.06452
786 1LVW TYD 8.13559
787 6F3M NAD 8.15451
788 6F3N ADN 8.15451
789 6F3N NAD 8.15451
790 5ZZ6 ADP 8.17308
791 5ZZ6 NAD 8.17308
792 1I8T FAD 8.17439
793 2HYR BGC GLC 8.19672
794 2GUD BMA 8.19672
795 2GUD MAN 8.19672
796 2GUC MAN 8.19672
797 2NUO BGC 8.19672
798 3T7S SAM 8.20895
799 5N18 8HZ 8.25688
800 5KVA SAM 8.27338
801 4GKV NAD 8.33333
802 2VNO GAL GAL FUC 8.33333
803 2HMT NAI 8.33333
804 1VM6 NAD 8.33333
805 5UAO FAD 8.3691
806 4BG4 ARG 8.3691
807 4Y9D NAI 8.58369
808 4M73 SAH 8.60534
809 4M73 M72 8.60534
810 2EB5 OXL 8.61423
811 5TCI MLI 8.69565
812 1XHC FAD 8.71935
813 4M37 SAH 8.74636
814 2IVD FAD 8.78661
815 4NTD FAD 8.79828
816 2G5C NAD 8.79828
817 1OBB NAD 8.79828
818 3AD8 NAD 8.91089
819 3AD8 FAD 8.91089
820 3AD8 PYC 8.91089
821 1HDR NAD 9.01639
822 3FPF TNA 9.0604
823 3FPF MTA 9.0604
824 1OFS SUC 9.09091
825 1AE1 NAP 9.15751
826 4FZV SAM 9.20502
827 5TTJ FAD 9.22747
828 2VHW NAI 9.22747
829 2BGM NAJ 9.35252
830 3GF4 UPG 9.48718
831 3GF4 FAD 9.48718
832 1ORR NAD 9.51009
833 4MO2 FAD 9.51087
834 4MO2 FDA 9.51087
835 1C1X NAD 9.57747
836 1NYT NAP 9.5941
837 1WDK NAD 9.65665
838 5Y77 FAD 9.65665
839 5MZI FAD 9.65665
840 5MZI FYK 9.65665
841 5A0U CHT 9.65665
842 1WOQ BGC 9.73783
843 1BW9 NAD 9.83146
844 1BXG NAD 9.83146
845 6F97 FAD 9.87124
846 4BKS X6C 9.87654
847 5E1M SAH 9.95851
848 1KEV NDP 9.97151
849 1LSS NAD 10
850 1JNR FAD 10
851 3VSE SAH 10.0503
852 2OOR NAD 10.1562
853 1F8G NAD 10.1562
854 1L7E NAI 10.1562
855 2OOR TXP 10.1562
856 6B92 SAH 10.2041
857 3A27 SAM 10.2941
858 3NJ4 NAD 10.3004
859 3NJ4 AFX 10.3004
860 1E3I CXF 10.3723
861 3G89 SAM 10.4418
862 4POO SAM 10.5
863 1FQK ALF 10.8844
864 3NOJ PYR 10.9244
865 5YAP NAI 11.0526
866 5YAP 8S0 11.0526
867 3MB5 SAM 11.3725
868 1L7N ALF 11.3744
869 1MFI FHC 11.4035
870 1GRN AF3 11.5183
871 5JCA FAD 11.6197
872 5JCA NDP 11.6197
873 4USI AKG 11.6883
874 6GFK SAH 11.9522
875 5X2N ALA 11.9816
876 2G30 ALA ALA PHE 12.4031
877 1FL2 FAD 12.4464
878 4YKG NAD 12.4464
879 4YKG FAD 12.4464
880 1L6O SER LEU LYS LEU MET THR THR VAL 12.6316
881 4HA6 FAD 12.8755
882 3WLE NAD 12.9032
883 1A0J BEN 13.0045
884 5FA8 SAM 13.0435
885 4IWN GEK 13.1004
886 2CJU PHX 13.2231
887 1H5R THM 13.3106
888 4XZ3 COA 13.3621
889 1LUA NAP 13.5193
890 3K56 IS3 13.5338
891 5TC4 NAD 13.6076
892 1H5S TMP 13.6519
893 2YY7 NAD 13.7821
894 5JWC FAD 13.8196
895 2X6T NAP 14.0056
896 4XB2 NDP 14.0299
897 4XB2 HSE 14.0299
898 3AB1 FAD 14.3777
899 3TKA SAM 14.4092
900 5C2N NAG 14.5833
901 1NM5 NAD 14.7783
902 2XVF FAD 14.8707
903 3GDH SAH 14.9378
904 2XVE FAD 15.0862
905 2GAG NAD 15.1515
906 2GAG FAD 15.1515
907 2GAG FOA 15.1515
908 3T31 FAD 15.2361
909 3T31 DCQ 15.2361
910 1VDC FAD 15.9159
911 4QTU SAM 16.2963
912 5EIN NAP 16.6667
913 3EGI ADP 17.4757
914 5L95 AMP 17.5
915 1GXU 2HP 17.5824
916 4YRY FAD 17.5966
917 4YRY NAD 17.5966
918 5GSN FAD 17.8112
919 5GSN NAP 17.8112
920 5GSN MMZ 17.8112
921 4GQB 0XU 18.1818
922 6F5Z SAH 18.1818
923 4BV6 FAD 18.2403
924 3GD4 FAD 18.6695
925 3GD4 NAD 18.6695
926 4TM3 FAD 18.6695
927 2ZJ1 ARJ 18.6695
928 2ZJ1 NAD 18.6695
929 1MFG GLU TYR LEU GLY LEU ASP VAL PRO VAL 18.9474
930 4M38 SAH 19.0476
931 5FA5 MTA 20
932 3CTY FAD 20.3762
933 3LXD FAD 20.6009
934 2CDU ADP 20.8155
935 2CDU FAD 20.8155
936 5KMS FAD 21.03
937 5KMS NAD 21.03
938 4EMI FAD 21.2195
939 4EMJ FAD 21.2195
940 4EMI NAD 21.2195
941 1Q1R FAD 21.3457
942 3FG2 FAD 22.0297
943 5JCM FAD 22.3176
944 5JCM NAD 22.3176
945 5JCM ISD 22.3176
946 2CVZ NDP 22.4914
947 2Z6J TUI 22.8916
948 2YVF FAD 23.0392
949 2YVF NAD 23.0392
950 2YVJ FAD 23.0392
951 2YVJ NAI 23.0392
952 3SHR CMP 24.0803
953 1EDO NAP 24.1803
954 3LZW NAP 24.2489
955 3LZW FAD 24.2489
956 6GAS FAD 24.4635
957 4II2 ATP 25.1534
958 5NA1 FAD 25.2451
959 3QV1 NAD 25.6098
960 3ICR FAD 25.7511
961 3ICS FAD 25.7511
962 3ICT FAD 25.7511
963 3ICT ADP 25.7511
964 3ICS ADP 25.7511
965 1YQZ FAD 25.9657
966 3CGB FAD 26.6094
967 5J60 FAD 27.2532
968 3CGD NAD 27.4678
969 3CGD COA 27.4678
970 3CGD FAD 27.4678
971 3KLJ FAD 27.7922
972 4UP3 FAD 28.3262
973 4UP3 NDP 28.3262
974 3F8D FAD 28.97
975 3NT6 FAD 30.0429
976 3NTA FAD 30.0429
977 2NPX FAD 30.2575
978 2NPX NAD 30.2575
979 5VN0 FAD 31.5451
980 3NTD FAD 31.5451
981 5VN0 NAI 31.5451
982 2Q7V FAD 35.6923
983 5MIT NAP 39.4495
984 5MIT FAD 39.4495
985 1MO9 FAD 40.9871
986 1MO9 KPC 40.9871
987 2HQM FAD 43.9914
988 4J56 FAD 43.9914
989 2WPF FAD 44.4206
990 2WPF WPF 44.4206
991 5NII FAD 44.9838
992 1FEC FAD 45.279
993 1GET FAD 45.3333
994 1GET NAP 45.3333
995 3QFA FAD 45.7082
996 1BZL FAD 45.7082
997 2NVK FAD 45.7082
998 6FP4 FAD 45.7082
999 6FP4 E1T 45.7082
1000 1BZL GCG 45.7082
1001 2NVK NAP 45.7082
1002 3SQP FAD 46.1373
1003 2RAB NAD 47.5162
1004 2RAB FAD 47.5162
Pocket No.: 2; Query (leader) PDB : 4M52; Ligand: M52; Similar sites found with APoc: 53
This union binding pocket(no: 2) in the query (biounit: 4m52.bio2) has 61 residues
No: Leader PDB Ligand Sequence Similarity
1 4K30 NLG None
2 3T3Z 9PL 1.28755
3 1M2Z BOG 1.94553
4 3TTN SPD 2.05882
5 4BTB PRO PRO PRO PRO PRO PRO PRO PRO PRO 2.09205
6 5IKH 6BW 2.36052
7 1NF8 BOG 2.41546
8 4DE3 DN8 2.6616
9 4DE2 DN3 2.6616
10 3TDC 0EU 2.7897
11 4RW3 SHV 2.98013
12 2BHW XAT 3.01724
13 2BHW NEX 3.01724
14 4YNU LGC 3.21888
15 4YNU FAD 3.21888
16 4MPO AMP 3.26797
17 5UC9 MYR 3.53982
18 1I0B PEL 3.61446
19 4MUS LY0 3.79147
20 3IHB GLU 3.94737
21 3KP6 SAL 3.97351
22 5VE5 GSH 3.97878
23 1T3D CYS 4.15225
24 5LX9 OLB 4.23453
25 4FWE FAD 4.29185
26 1KRH FAD 4.43787
27 2WOR 2AN 5
28 5IVX ARG GLY PRO GLY ARG ALA PHE VAL THR ILE 5.15464
29 5XDT ZI7 5.51948
30 5LGA 6VH 5.66667
31 1FX8 BOG 5.69395
32 3TTM PUT 5.78035
33