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Receptor
PDB id Resolution Class Description Source Keywords
1CET 2.05 Å EC: 1.1.1.27 CHLOROQUINE BINDS IN THE COFACTOR BINDING SITE OF PLASMODIUM FALCIPARUM LACTATE DEHYDROGENASE. PLASMODIUM FALCIPARUM OXIDOREDUCTASE TRICARBOXYLIC ACID CYCLE INHIBITOR
Ref.: CHLOROQUINE BINDS IN THE COFACTOR BINDING SITE OF P FALCIPARUM LACTATE DEHYDROGENASE. J.BIOL.CHEM. V. 274 10213 1999
Ligand
Ligand Chain:Residue Validity Ligand Warnings Binding Data NGL Viewer Molecular Weight (Da) Formula SMILES
CLQ A:1001;
Valid;
none;
Ki = 1.3 mM
319.872 C18 H26 Cl N3 CCN(C...
View in 3D viewer
90% Homology Family
Leader
PDB id Resolution Class Description Source Keywords
1T26 1.8 Å EC: 1.1.1.27 PLASMODIUM FALCIPARUM LACTATE DEHYDROGENASE COMPLEXED WITH N HYDROXY-1,2,5-THIADIAZOLE-3-CARBOXYLIC ACID PLASMODIUM FALCIPARUM PROTEIN-LIGAND COMPLEX OXIDOREDUCTASE
Ref.: IDENTIFICATION AND ACTIVITY OF A SERIES OF AZOLE-BA COMPOUNDS WITH LACTATE DEHYDROGENASE-DIRECTED ANTI-ACTIVITY. J.BIOL.CHEM. V. 279 31429 2004
Members (15)
No: PDB id Binding Data Representative ligand Formula Smiles
The Class containing this family consists of a total of 19 families.
1 1T24 ic50 = 0.65 uM OXQ C3 H2 N2 O4 c1(c(non1)....
2 1U5A - BIK C11 H8 O4 c1cc(cc2c1....
3 1CET Ki = 1.3 mM CLQ C18 H26 Cl N3 CCN(CC)CCC....
4 1U4S - BIH C10 H8 O6 S2 c1cc(cc2c1....
5 4PLZ - NAI C21 H29 N7 O14 P2 c1nc(c2c(n....
6 1T2D - NAD C21 H27 N7 O14 P2 c1cc(c[n+]....
7 1T25 ic50 = 1.1 uM GAG C4 H3 N O4 c1c(c(no1)....
8 1T26 ic50 = 0.14 uM GBD C3 H2 N2 O3 S c1(c(nsn1)....
9 2A94 - AP0 C22 H32 N6 O14 P2 CC(C1=CN(C....
10 1LDG - OXM C2 H3 N O3 C(=O)(C(=O....
11 1T2C - NAI C21 H29 N7 O14 P2 c1nc(c2c(n....
12 1U4O - NDD C12 H8 O4 c1cc(cc2c1....
13 1XIV - RB2 C10 H20 Cl N O5 COC(C1CC(C....
14 1T2E - NAI C21 H29 N7 O14 P2 c1nc(c2c(n....
15 1OC4 - NAD C21 H27 N7 O14 P2 c1cc(c[n+]....
70% Homology Family (31)
No: PDB id Binding Data Representative ligand Formula Smiles
The Class containing this family consists of a total of 13 families.
1 4PLT - NAI C21 H29 N7 O14 P2 c1nc(c2c(n....
2 4PLY - NAI C21 H29 N7 O14 P2 c1nc(c2c(n....
3 4PLW - NAI C21 H29 N7 O14 P2 c1nc(c2c(n....
4 4PLV - 2OP C3 H6 O3 C[C@@H](C(....
5 4PLH - OXM C2 H3 N O3 C(=O)(C(=O....
6 1T24 ic50 = 0.65 uM OXQ C3 H2 N2 O4 c1(c(non1)....
7 1U5A - BIK C11 H8 O4 c1cc(cc2c1....
8 1CET Ki = 1.3 mM CLQ C18 H26 Cl N3 CCN(CC)CCC....
9 1U4S - BIH C10 H8 O6 S2 c1cc(cc2c1....
10 4PLZ - NAI C21 H29 N7 O14 P2 c1nc(c2c(n....
11 1T2D - NAD C21 H27 N7 O14 P2 c1cc(c[n+]....
12 1T25 ic50 = 1.1 uM GAG C4 H3 N O4 c1c(c(no1)....
13 1T26 ic50 = 0.14 uM GBD C3 H2 N2 O3 S c1(c(nsn1)....
14 2A94 - AP0 C22 H32 N6 O14 P2 CC(C1=CN(C....
15 1LDG - OXM C2 H3 N O3 C(=O)(C(=O....
16 1T2C - NAI C21 H29 N7 O14 P2 c1nc(c2c(n....
17 1U4O - NDD C12 H8 O4 c1cc(cc2c1....
18 1XIV - RB2 C10 H20 Cl N O5 COC(C1CC(C....
19 1T2E - NAI C21 H29 N7 O14 P2 c1nc(c2c(n....
20 1OC4 - NAD C21 H27 N7 O14 P2 c1cc(c[n+]....
21 2AA3 - AP0 C22 H32 N6 O14 P2 CC(C1=CN(C....
22 2A92 - NAI C21 H29 N7 O14 P2 c1nc(c2c(n....
23 4PLC - NAI C21 H29 N7 O14 P2 c1nc(c2c(n....
24 4PLF - NAI C21 H29 N7 O14 P2 c1nc(c2c(n....
25 4PLG - OXM C2 H3 N O3 C(=O)(C(=O....
26 1PZG Ki = 25 mM A3D C22 H28 N6 O14 P2 CC(=O)c1cc....
27 1PZH - OXL C2 O4 C(=O)(C(=O....
28 1PZF - OXL C2 O4 C(=O)(C(=O....
29 2HJR - CIT C6 H8 O7 C(C(=O)O)C....
30 1UXG - NAD C21 H27 N7 O14 P2 c1cc(c[n+]....
31 1SOW - OXL C2 O4 C(=O)(C(=O....
50% Homology Family (23)
No: PDB id Binding Data Representative ligand Formula Smiles
The Class containing this family consists of a total of 4 families.
1 1T24 ic50 = 0.65 uM OXQ C3 H2 N2 O4 c1(c(non1)....
2 1U5A - BIK C11 H8 O4 c1cc(cc2c1....
3 1CET Ki = 1.3 mM CLQ C18 H26 Cl N3 CCN(CC)CCC....
4 5W8I ic50 = 0.15 uM 9YD C13 H7 F2 N3 O3 S c1cc(c(cc1....
5 4QO7 Kd = 3.5 uM 36V C18 H15 N O4 S c1ccc(cc1)....
6 5W8H ic50 = 23.4 uM 9Y1 C14 H7 F4 N3 O2 S c1cc(ccc1c....
7 5W8J ic50 = 0.672 uM 9Y7 C20 H14 F2 N4 O5 S2 c1cc(ccc1C....
8 4AJE Kd = 210 uM 2B4 C9 H7 Br O5 c1cc(ccc1O....
9 4I9H Kd = 0.068 uM 1E4 C33 H31 Cl F N3 O12 S COc1cc(c(c....
10 5KKC - 6V0 C21 H29 N7 O14 P2 c1nc(c2c(n....
11 4AJP Kd = 0.093 uM 0SN C25 H27 N3 O6 S Cc1nc2ccc(....
12 4R68 ic50 = 6 nM W31 C28 H23 Cl3 O4 S C[C@@H](c1....
13 5W8K ic50 = 0.672 uM 9Y7 C20 H14 F2 N4 O5 S2 c1cc(ccc1C....
14 1GV0 - NAD C21 H27 N7 O14 P2 c1cc(c[n+]....
15 2AA3 - AP0 C22 H32 N6 O14 P2 CC(C1=CN(C....
16 2A92 - NAI C21 H29 N7 O14 P2 c1nc(c2c(n....
17 4PLC - NAI C21 H29 N7 O14 P2 c1nc(c2c(n....
18 1PZG Ki = 25 mM A3D C22 H28 N6 O14 P2 CC(=O)c1cc....
19 2HJR - CIT C6 H8 O7 C(C(=O)O)C....
20 1UXH - NAD C21 H27 N7 O14 P2 c1cc(c[n+]....
21 1UXJ - NAD C21 H27 N7 O14 P2 c1cc(c[n+]....
22 1SOW - OXL C2 O4 C(=O)(C(=O....
23 1LDN - NAD C21 H27 N7 O14 P2 c1cc(c[n+]....
Polypharmacology
Similar Ligands
Ligand no: 1; Ligand: CLQ; Similar ligands found: 2
No: Ligand ECFP6 Tc MDL keys Tc
1 CLQ 1 1
2 CQA 0.464286 0.666667
Similar Binding Sites (Proteins are less than 50% similar to leader)
Pocket No.: 1; Query (leader) PDB : 1T26; Ligand: NAI; Similar sites found with APoc: 960
This union binding pocket(no: 1) in the query (biounit: 1t26.bio1) has 43 residues
No: Leader PDB Ligand Sequence Similarity
1 5N53 8NB None
2 5OFW 9TW None
3 3KIH GDL None
4 2BOS GLA GAL GLC NBU None
5 2BOS GLA GAL GLC None
6 5N6C NAD 1
7 1L1E SAH 1.0453
8 1Z6Z NAP 1.06383
9 1I9G SAM 1.07143
10 5BW4 SAM 1.1236
11 5O4J PJL 1.24224
12 5O4J SAH 1.24224
13 5O4J 9KH 1.24224
14 2JJQ SAH 1.24224
15 4KWI 1TJ 1.52091
16 4KWI NAP 1.52091
17 2XZ9 PYR 1.5528
18 5YAP 8S0 1.5528
19 5YAP NAI 1.5528
20 2JHF NAD 1.5528
21 2ZB3 NDP 1.5528
22 2DKH FAD 1.5528
23 1Y79 GLY ASP 1.5528
24 4KIB SAH 1.5528
25 1B63 ANP 1.5528
26 3C1O NAP 1.55763
27 3A4V PYR 1.57729
28 3A4V NAD 1.57729
29 5X20 NAD 1.60256
30 5OVL NAP 1.66667
31 4DPL NAP 1.67131
32 1XG5 NAP 1.79211
33 5KVA SAM 1.79856
34 2HK9 ATR 1.81818
35 2HK9 NAP 1.81818
36 3O0W MAN MAN MAN GLC 1.8315
37 2ZJ1 ARJ 1.86335
38 2ZJ1 NAD 1.86335
39 1H2B NAJ 1.86335
40 3LU1 NAD 1.86335
41 4JBI NDP 1.86335
42 5Z20 NAI 1.86335
43 5FPE 3TR 1.86335
44 1BZL GCG 1.86335
45 4XCZ T3Q 1.86335
46 5Y1G AKB 1.86335
47 5Y1G NAD 1.86335
48 1BZL FAD 1.86335
49 6BWL NAD 1.86335
50 5NM7 GLY 1.8797
51 1X1T NAD 1.92308
52 3AFN NAP 1.93798
53 3VYW SAM 1.94805
54 5OVK NDP 1.95312
55 2DKN NAI 1.96078
56 5ZBL AMP 1.97044
57 3NUG NAD 2.02429
58 4A34 FUL 2.04082
59 1HDR NAD 2.04918
60 2AOT SAH 2.05479
61 4GKV NAD 2.08333
62 5WUW NAP 2.09059
63 3C3Y SAH 2.1097
64 1RP0 AHZ 2.11268
65 5LOG SAH 2.14592
66 5U5N NAD 2.15054
67 2NAD NAD 2.17391
68 5M67 ADE 2.17391
69 5M67 NAD 2.17391
70 5M67 3D1 2.17391
71 1VL8 NAP 2.17391
72 1Y1P NMN AMP PO4 2.17391
73 1E3I CXF 2.17391
74 1KEV NDP 2.17391
75 2J8Z NAP 2.17391
76 1K3T BRZ 2.17391
77 4JBL MET 2.17391
78 2JAH NDP 2.17391
79 2WPB ZZI 2.17391
80 2Q7V FAD 2.17391
81 6FDF SAH 2.17391
82 4OPC PGT 2.17391
83 3GMB FAD 2.17391
84 3DMH SAM 2.17391
85 4OPC FDA 2.17391
86 6F5Z SAH 2.17391
87 4U8P UDP 2.17391
88 4U8P FDA 2.17391
89 1NYT NAP 2.21402
90 2VAR KDF 2.23642
91 5D4V SAH 2.23881
92 1FWV SGA MAG FUC 2.23881
93 3DUW SAH 2.24215
94 3U1T MLI 2.26537
95 5NII FAD 2.26537
96 1I36 NAP 2.27273
97 3DUV KDO 2.29008
98 2ZAT NAP 2.30769
99 3LKF PC 2.34114
100 3G2O SAM 2.34114
101 5Y8L HUI 2.37288
102 5Y8L NAD 2.37288
103 5T2U NAP 2.41935
104 4QED NAP 2.41935
105 2CVZ NDP 2.42215
106 1WP4 NDP 2.42215
107 4RDH AMP 2.43056
108 4RDI ATP 2.43056
109 4KGM ATP 2.44898
110 2GSD NAD 2.48447
111 2GCG NDP 2.48447
112 1ZH8 NAP 2.48447
113 2IXB NAD 2.48447
114 1RM0 D6P 2.48447
115 1RM0 NAI 2.48447
116 2IXB A2G 2.48447
117 3K5I AIR 2.48447
118 4MP8 NAD 2.48447
119 4MP8 MLI 2.48447
120 1SQF SAM 2.48447
121 5TUF FAD 2.48447
122 1UDB NAD 2.48447
123 1UDB UFG 2.48447
124 1U1I NAD 2.48447
125 4USQ FAD 2.48447
126 4J51 N75 2.48447
127 3FG2 FAD 2.48447
128 5DOZ NDP 2.48447
129 5WP5 SAH 2.48447
130 4A59 AMP 2.48447
131 1N1G BCP 2.48447
132 5GSN FAD 2.48447
133 5GSN NAP 2.48447
134 4BV6 FAD 2.48447
135 1RZU ADP 2.48447
136 1XKQ NDP 2.5
137 4D79 ATP 2.53623
138 6ECW SAH 2.53968
139 3KO8 NAD 2.5641
140 2FVV IHP 2.57732
141 3FUU ADN 2.58303
142 5N2I NAP 2.58621
143 1L3I SAH 2.60417
144 3RFV NAI 2.62172
145 3RFV 15L 2.62172
146 3WBF NAP 2.62295
147 3WBF API 2.62295
148 5Z2F NAP 2.64151
149 1H5Q NAP 2.64151
150 3A25 SAM 2.65781
151 2EV9 NAP 2.6616
152 2EV9 SKM 2.6616
153 3O03 NAP 2.74914
154 4FN4 NAD 2.75591
155 3H4V NAP 2.77778
156 3H4V DVP 2.77778
157 1F8G NAD 2.79503
158 1L7E NAI 2.79503
159 3S5W FAD 2.79503
160 4R5M NAP 2.79503
161 3GD4 NAD 2.79503
162 3OND ADN 2.79503
163 3OND NAD 2.79503
164 5Z21 NAI 2.79503
165 1E5Q NDP 2.79503
166 1YS4 NAP 2.79503
167 6C4M NAP 2.79503
168 2FSH ANP 2.79503
169 4TXI FAD 2.79503
170 4R5M 4NO 2.79503
171 2BRY FAD 2.79503
172 1TUU ADP 2.79503
173 6GAR FAD 2.79503
174 3T31 FAD 2.79503
175 3T31 DCQ 2.79503
176 5DNK SAH 2.79503
177 1NM5 NAD 2.79503
178 1AJ8 COA 2.79503
179 3S5W NAP 2.79503
180 1TI7 NAP 2.79503
181 1P0F NAP 2.79503
182 3ZBQ GDP 2.79503
183 3GD4 FAD 2.79503
184 3TKA SAM 2.79503
185 5TWB FAD 2.79503
186 2VUT NAD 2.79503
187 4GLL NAD 2.79503
188 5K4W THR 2.80374
189 5K4W NAI 2.80374
190 2DPM SAM 2.8169
191 4E13 NAD 2.82686
192 1UZN NAP 2.83401
193 2OOR NAD 2.87356
194 3O9Z NAD 2.88462
195 3O9Z AKG 2.88462
196 3O26 NDP 2.89389
197 5LVP ATP 2.89389
198 3GDH SAH 2.90456
199 1V1A KDG 2.91262
200 5EJ2 NAD 2.92208
201 3A27 SAM 2.94118
202 3WR7 COA 2.94118
203 5CG1 NAD BBN 2.95082
204 5NC1 NAG 2.95359
205 1IY8 NAD 2.99625
206 2CUL FAD 3.01724
207 3RKR NAP 3.05344
208 1U7T NAD 3.06513
209 1U7T TDT 3.06513
210 2AHR NAP 3.0888
211 5FEU NAP 3.09278
212 4BVA NDP 3.10559
213 1MUU NAD 3.10559
214 4KOA NDP 3.10559
215 6C4N NAP 3.10559
216 2J5V PCA 3.10559
217 5MQ6 NDP 3.10559
218 4B7X NAP 3.10559
219 4BVA T3 3.10559
220 3DAG FEG 3.10559
221 1TB4 PEJ 3.10559
222 5KVS NAP 3.10559
223 1OMO NAD 3.10559
224 2DBZ NAP 3.10559
225 1MV8 NAD 3.10559
226 5ERG SAM 3.10559
227 3HB5 NAP 3.10559
228 5KVS 6XR 3.10559
229 5XNC MTA 3.10559
230 3WQQ IB3 3.10559
231 3WQQ NDP 3.10559
232 3WEC AUI 3.10559
233 4D7E FAD 3.10559
234 1GEG NAD 3.125
235 3CTY FAD 3.1348
236 1NVT NAP 3.13589
237 6ECU SAH 3.16456
238 3G89 SAM 3.21285
239 4D3F NAP 3.22581
240 3WXB NDP 3.22581
241 3HAD NAD 3.24675
242 3LL2 MAN MAN MAN MAN MAN MAN MAN MAN 3.25203
243 3MAG SAH 3.25733
244 2C29 NAP 3.2641
245 4MPO AMP 3.26797
246 1EDO NAP 3.27869
247 3A4T SFG 3.28467
248 2DT5 NAD 3.31754
249 3MCT SAH 3.367
250 3EGI ADP 3.39806
251 4ZES MMA 3.40136
252 3ICS ADP 3.41615
253 3ICT ADP 3.41615
254 2IZ1 ATR 3.41615
255 5UAV NDP 3.41615
256 1V59 NAD 3.41615
257 5UAV TFB 3.41615
258 4J1Q NDP 3.41615
259 1LVL NAD 3.41615
260 1GR0 NAD 3.41615
261 6DNT NAD 3.41615
262 3ULK NDP 3.41615
263 4XYB NDP 3.41615
264 3IHB GLU 3.41615
265 3KB6 NAD 3.41615
266 2QA1 FAD 3.41615
267 1KOL NAD 3.41615
268 4FZV SAM 3.41615
269 1SQK ADP 3.41615
270 3U9Z ADP 3.41615
271 5YPU ATP 3.41615
272 5XWV 8H6 3.41615
273 5XWV NDP 3.41615
274 1Q1R FAD 3.41615
275 3ICR FAD 3.41615
276 3ICS FAD 3.41615
277 3M89 GSP 3.41615
278 2ZB4 NAP 3.41615
279 1CF2 NAP 3.41615
280 3ICT FAD 3.41615
281 1V59 FAD 3.41615
282 2ZB4 5OP 3.41615
283 6FHO FAD 3.41615
284 4B1X ATP 3.41615
285 3SJH ATP 3.41615
286 4TM3 FAD 3.41615
287 3MN6 ATP 3.41615
288 2V51 ATP 3.41615
289 4B1V ATP 3.41615
290 2AG8 NAP 3.42205
291 2PK3 A2R 3.42679
292 1N5D NDP 3.47222
293 4GGZ BTN 3.47826
294 3FZG SAM 3.5
295 5FFF NAP 3.50195
296 4OBW SAM 3.50195
297 1VM6 NAD 3.50877
298 2YY7 NAD 3.52564
299 5N5D SAM 3.53982
300 5BJX NAD 3.55191
301 5BJX UDP 3.55191
302 1J5P NAD 3.55731
303 5AYV NAP 3.55987
304 5AYV KPL 3.55987
305 1R6D NAD 3.56083
306 1R6D DAU 3.56083
307 5AOV NAP 3.57143
308 5L4L NAP 3.61842
309 2B4Q NAP 3.62319
310 1MXH NAP 3.62319
311 1MXH DHF 3.62319
312 1DRV A3D 3.663
313 3AY6 NAI 3.71747
314 5Z75 NAD 3.72671
315 2VHW NAI 3.72671
316 1VKO NAD 3.72671
317 1GZ4 ATP 3.72671
318 5L53 NAP 3.72671
319 3IHG FAD 3.72671
320 2I3G NAP 3.72671
321 4Y1B NAP 3.72671
322 4DCM SAM 3.72671
323 2VDY HCY 3.72671
324 3VSE SAH 3.72671
325 1GPM CIT 3.72671
326 4IDC 1XX 3.72671
327 4IDC NDP 3.72671
328 1SB8 UD2 3.72671
329 1SB8 NAD 3.72671
330 5E72 SAM 3.72671
331 4EUE NAI 3.72671
332 4EDF UPG 3.72671
333 4PKI ATP 3.72671
334 1H9A NAP 3.72671
335 4MO2 FDA 3.72671
336 3UOY FAD 3.72671
337 3UOY NAP 3.72671
338 4MO2 FAD 3.72671
339 6ECT SAM 3.73832
340 2HNK SAH 3.76569
341 6AIN FAD 3.82775
342 5WQP NAP 3.84615
343 5WQP NCA 3.84615
344 2Q97 ATP 3.87597
345 4NBW NAD 3.89105
346 3O01 DXC 3.8961
347 1XTP SAI 3.93701
348 2Q46 NAP 3.95257
349 5GWT NAD 3.95683
350 5GWT SIN 3.95683
351 1YJQ NAP 3.9604
352 1W8D NAP 3.97351
353 1W73 NAP 3.97351
354 6GFK SAH 3.98406
355 1WMA AB3 3.98551
356 2PV7 NAD 4.02685
357 5AHO TLA 4.03727
358 2D2I NAP 4.03727
359 3B20 NAD 4.03727
360 3B1J NAD 4.03727
361 5E9W SAH 4.03727
362 5E8J SAH 4.03727
363 2FZW NAD 4.03727
364 1P31 EPU 4.03727
365 3X0D SAH 4.03727
366 4M37 SAH 4.03727
367 1O0S NAI 4.03727
368 3ETG NDP 4.03727
369 4L8V NAP 4.03727
370 1U3U NAD 4.03727
371 1U3U BNF 4.03727
372 4Z94 ATP 4.03727
373 5BRT FAD 4.03727
374 4A0S NAP 4.03727
375 5H81 NAP 4.03727
376 4EMI FAD 4.03727
377 2B5W NAP 4.03727
378 5G3U FDA 4.03727
379 4M38 SAH 4.03727
380 3ETG GLU 4.03727
381 1I8T FAD 4.03727
382 1P3D UMA 4.03727
383 5NMX FAD 4.03727
384 3NTD FAD 4.03727
385 2PZM UDP 4.03727
386 2PZM NAD 4.03727
387 5THQ NDP 4.04412
388 5T9E NAP 4.05904
389 5T9F TYR 4.05904
390 5T9F NAP 4.05904
391 1LVW TYD 4.0678
392 4CJX NAP 4.07523
393 3WLE NAD 4.10557
394 1NVM NAD 4.16667
395 4XB2 NDP 4.1791
396 4XB2 HSE 4.1791
397 1DSS NAD 4.2042
398 2O4C NAD 4.21053
399 1E3W NAD 4.21456
400 5YRF GLC GLC 4.22535
401 5YRG BGC GLC 4.22535
402 1E6W NAD 4.23077
403 4BJZ FAD 4.24528
404 4BJZ P3A 4.24528
405 1O5Q PYR 4.2623
406 4RSL FAD 4.26966
407 1FK8 NAD 4.28016
408 4PKG ATP 4.30108
409 1W6U NAP 4.30464
410 4HXY NDP 4.3379
411 1DJN ADP 4.34783
412 1O94 ADP 4.34783
413 1LJ8 NAD 4.34783
414 6C4T NA7 4.34783
415 1M2W NAD 4.34783
416 4YT4 FE9 4.34783
417 1ZBQ NAD 4.34783
418 4XQC NAD 4.34783
419 4JJF FE9 4.34783
420 4XQC 13D 4.34783
421 5O9F NAD 4.34783
422 5O9F 9ON 4.34783
423 3L9W GSH 4.34783
424 4JJF N2I 4.34783
425 2RGJ FAD 4.34783
426 3L9W AMP 4.34783
427 5UR0 NAD 4.34783
428 4KRG SAH 4.34783
429 2QRK AMP 4.34783
430 1MO9 KPC 4.34783
431 2EG5 SAH 4.34783
432 1MO9 FAD 4.34783
433 1XHC FAD 4.34783
434 2WET FAD 4.34783
435 2RGO FAD 4.34783
436 1G4U AF3 4.34783
437 3KLJ FAD 4.34783
438 4JDR FAD 4.34783
439 1EU1 GLC 4.34783
440 1WDK NAD 4.34783
441 4YJK URA 4.36508
442 1GZ6 NAI 4.38871
443 5L4S NAP 4.40252
444 5L4S 6KX 4.40252
445 5A96 GTP 4.41767
446 5EES NAP 4.45344
447 2AG5 NAD 4.47154
448 5VEG FMN 4.49438
449 3PNA CMP 4.54545
450 5G4L NDP 4.54545
451 1GEE NAD 4.5977
452 1EBF NAD 4.65839
453 3V1Y NAD 4.65839
454 3NJ4 NAD 4.65839
455 3H9E NAD 4.65839
456 3NJ4 AFX 4.65839
457 4Z0H NAD 4.65839
458 3CIF NAD 4.65839
459 2B4R AES 4.65839
460 1WPQ NAD 4.65839
461 2B4R NAD 4.65839
462 1GAD NAD 4.65839
463 1LLU NAD 4.65839
464 4PIV NDP 4.65839
465 4KVL PLM 4.65839
466 3CIF G3H 4.65839
467 3L4S NAD 4.65839
468 3L4S 3PG 4.65839
469 4G5H NAP 4.65839
470 4G5H UD7 4.65839
471 2FK8 SAM 4.65839
472 2V6G NAP 4.65839
473 5E4R NAP 4.65839
474 5J7X FAD 4.65839
475 3FPZ AHZ 4.65839
476 1J0X NAD 4.65839
477 1KYZ SAH 4.65839
478 3G5S FAD 4.65839
479 1G2O IMH 4.65839
480 3NJQ NJQ 4.66321
481 4O0L NDP 4.72727
482 3CBG SAH 4.74138
483 5AJU RP5 4.74453
484 1AE1 NAP 4.7619
485 3O7W SAM 4.7619
486 1J49 NAD 4.8048
487 4ZRN UPG 4.80769
488 4ZRN NAD 4.80769
489 2D5A COA 4.86111
490 4MCC 21X 4.87805
491 5ZW3 SAH 4.88889
492 5XVH NAP 4.90196
493 1NV8 MEQ 4.92958
494 1NV8 SAM 4.92958
495 5YRI GLC GLC 4.92958
496 4OSP NAP 4.94297
497 1UAY ADN 4.95868
498 1ZEM NAD 4.96183
499 2GLX NDP 4.96894
500 3SSO SAH 4.96894
501 1RM4 NDP 4.96894
502 2GDZ NAD 4.96894
503 2V95 HCY 4.96894
504 4PVD NDP 4.96894
505 4DMG SAM 4.96894
506 2WPF WPF 4.96894
507 2WPF FAD 4.96894
508 4USR FAD 4.96894
509 4TSK NDP 4.96894
510 5JWC FAD 4.96894
511 2Q1S NAI 4.96894
512 2DM6 IMN 4.96894
513 6ER9 FAD 4.96894
514 5O0J GLC 4.96894
515 1KXP ATP 4.96894
516 2DM6 NAP 4.96894
517 6ER9 NAP 4.96894
518 1YQZ FAD 4.96894
519 5X68 FAD 4.96894
520 4CQM NAP 4.98084
521 5G6U TRP 4.98084
522 5W3K NDP 5
523 5W3K 9TY 5
524 4Q9N NAI 5.03356
525 3OID NDP 5.03876
526 3GRU AMP 5.08475
527 3BAZ NAP 5.1051
528 5O42 BGC 5.10949
529 5O42 9JW 5.10949
530 5O42 NAD 5.10949
531 6GAS FAD 5.13595
532 1VL0 NAI 5.13699
533 2YYY NAP 5.2795
534 1X7D ORN 5.2795
535 1X7D NAD 5.2795
536 2ZXI FAD 5.2795
537 2EJU SAH 5.2795
538 5GUD 2IT 5.2795
539 3AB1 FAD 5.2795
540 5GUD NDP 5.2795
541 4CNK FAD 5.2795
542 3LST SAH 5.2795
543 4ZCC FAD 5.2795
544 4UXL 5P8 5.2795
545 1G0N PHH 5.30035
546 1G0N NDP 5.30035
547 4BS0 6NT 5.34591
548 1VBO MAN 5.36913
549 3GGO ENO 5.41401
550 3GGO NAI 5.41401
551 5BSH PRO 5.41516
552 3A28 NAD 5.42636
553 5YSS NAD 5.46875
554 5MIT FAD 5.50459
555 5MIT NAP 5.50459
556 1P77 ATR 5.51471
557 1P1C SAH 5.52764
558 5EIN NAP 5.55556
559 1YKF NAP 5.59006
560 5ZYN SIN 5.59006
561 2CFC NAD 5.59006
562 2GVC FAD 5.59006
563 1VQW FAD 5.59006
564 2GV8 FAD 5.59006
565 5ZEC NAP 5.59006
566 4C4A SAH 5.59006
567 1I2B UPG 5.59006
568 1I2B USQ 5.59006
569 1I2B NAD 5.59006
570 1VEM GLC GLC 5.59006
571 1UWK URO 5.59006
572 1UWK NAD 5.59006
573 1MJT ITU 5.59006
574 2WZF BGC 5.59006
575 1YB5 NAP 5.59006
576 3U4C NDP 5.59006
577 2GV8 NDP 5.59006
578 5KMS NAD 5.59006
579 2ZL4 ALA ALA ALA ALA 5.61225
580 2NU8 COA 5.6701
581 2G5C NAD 5.69395
582 4ZGS NAD 5.69948
583 5OJL TXP 5.7047
584 1PR9 NAP 5.7377
585 3D3W NAP 5.7377
586 1Y8Q ATP 5.78035
587 4JK3 NAD 5.79151
588 4J4H NAI 5.79151
589 4J4H 1J1 5.79151
590 4YMH SAH 5.83333
591 1KYQ NAD 5.83942
592 1JA9 NDP 5.83942
593 1RJW ETF 5.90062
594 5CAE COA 5.90062
595 1RKX NAD 5.90062
596 3TWO NDP 5.90062
597 5TDF 7A3 5.90062
598 5TOW ADN 5.90062
599 5TOW NAI 5.90062
600 1KEW NAD 5.90062
601 5Z2L NDP 5.90062
602 5T96 79J 5.90062
603 1YQD NAP 5.90062
604 3QWB NDP 5.90062
605 5CAE SIN 5.90062
606 1YKJ FAD 5.90062
607 1YKJ PHB 5.90062
608 4AP3 NAP 5.90062
609 4AP3 FAD 5.90062
610 5FI3 NAP 5.90062
611 1KEW TYD 5.90062
612 5H9Y BGC BGC BGC BGC 5.90062
613 4Y9D NAI 5.90164
614 2O07 SPD 5.92105
615 2O07 MTA 5.92105
616 2JL1 NAP 5.92335
617 3WV8 ATP 5.9633
618 3MMH SME 5.98802
619 3ZV6 NAD 6.04982
620 1JQ3 AAT 6.08108
621 6F7L FAD 6.1086
622 2UYQ SAM 6.12903
623 5OF1 SAL 6.19048
624 1DIG NAP 6.20915
625 1DIG L37 6.20915
626 4RQU NAD 6.21118
627 1CER NAD 6.21118
628 1PJS NAD 6.21118
629 5TUK FAD 6.21118
630 5A04 NDP 6.21118
631 5EOW FAD 6.21118
632 5A04 BGC 6.21118
633 3QJ4 FAD 6.21118
634 6FP4 E1T 6.21118
635 6FP4 FAD 6.21118
636 3TN7 NJP 6.22568
637 1E7S NAP 6.23053
638 1F06 NDP 6.25
639 3FGZ BEF 6.25
640 2HMT NAI 6.25
641 4R57 ACO 6.25
642 2XVF FAD 6.25
643 3CMC NAD 6.28743
644 6DUB SAH 6.30631
645 5OOH 9ZZ 6.31068
646 5OOH NAP 6.31068
647 4NBU NAI 6.4
648 2Q0L NAP 6.43087
649 4NTD FAD 6.47059
650 1UP7 NAD 6.52174
651 2DFV NAD 6.52174
652 1D1T NAD 6.52174
653 2VYN NAD 6.52174
654 3H5N ATP 6.52174
655 1PL6 572 6.52174
656 4XDY NAI 6.52174
657 1PL6 NAD 6.52174
658 4OOE FOM 6.52174
659 4OOE NDP 6.52174
660 4K26 NDP 6.52174
661 4EMJ FAD 6.54206
662 2BD0 NAP 6.55738
663 3KIF GDL 6.60377
664 3VZS NAP 6.61479
665 3VZS CAA 6.61479
666 4HBM 0Y7 6.66667
667 4Z28 BTN 6.71642
668 2DC1 NAD 6.77966
669 1O5I NAD 6.82731
670 1X14 NAD 6.8323
671 4E5N NAD 6.8323
672 5LD5 NAD 6.8323
673 5DN9 NAD 6.8323
674 1ORR NAD 6.8323
675 4U7W NDP 6.8323
676 4K5S FAD 6.8323
677 1PS9 NAP 6.8323
678 3OJO NAD 6.8323
679 3E7S AT2 6.8323
680 6EL3 NAP 6.8323
681 5JCM NAD 6.8323
682 5JCM FAD 6.8323
683 5JCM ISD 6.8323
684 4ZFL 4NK 6.83761
685 3H8V ATP 6.84932
686 3B1F NAD 6.89655
687 1NFQ NAI 6.92308
688 3JQA NAP 6.94444
689 4CM4 NAP 6.94444
690 4CM8 NAP 6.94444
691 5JDI NAP 6.94444
692 3BMO NAP 6.94444
693 3JQF NAP 6.94444
694 4CLO NAP 6.94444
695 4CMI NAP 6.94444
696 3JQG NAP 6.94444
697 3BMQ NAP 6.94444
698 4CLR NAP 6.94444
699 3JQ9 NAP 6.94444
700 3JQ8 NAP 6.94444
701 5JCJ NAP 6.94444
702 4CM9 NAP 6.94444
703 3JQB NAP 6.94444
704 5K6A NAP 6.94444
705 5JDC NAP 6.94444
706 4CME NAP 6.94444
707 3JQ7 NAP 6.94444
708 3BMN NAP 6.94444
709 1Q7B NAP 6.96721
710 3ICC NAP 7.05882
711 3AD8 NAD 7.07071
712 1SC6 NAD 7.14286
713 6BII NAP 7.14286
714 6A3J NAI 7.14286
715 1RPN NDP 7.14286
716 5CKS GAL 7.14286
717 3I6I NDP 7.14286
718 3FWN ATR 7.14286
719 6A3J SOE 7.14286
720 3M6W SAM 7.14286
721 4IV9 FAD 7.14286
722 5TPV TYD 7.18954
723 2DTX BMA 7.19697
724 5ZZ6 NAD 7.21154
725 5ZZ6 ADP 7.21154
726 5OCM NAP 7.2165
727 5GT9 NAP 7.22433
728 4URF NAD 7.25806
729 4YAG NAI 7.26644
730 2JAP NDP 7.28745
731 2A42 ATP 7.30769
732 2D1K ATP 7.30769
733 2A3Z ATP 7.30769
734 4UP3 NDP 7.32484
735 5GZZ GSH 7.33945
736 1ZQ9 SAM 7.36842
737 5GZ6 NDP 7.45342
738 4TQG NDP 7.45342
739 5GZ6 7C3 7.45342
740 1Z82 NDP 7.45342
741 4R1S NAP 7.45342
742 3LZW FAD 7.45342
743 3LXD FAD 7.45342
744 3LZW NAP 7.45342
745 2WD7 NAP 7.46269
746 2VZ0 NAP 7.46269
747 2VZ0 D64 7.46269
748 5L95 AMP 7.5
749 4ZA2 NAD 7.50988
750 3ORF NAD 7.56972
751 5O98 NAP 7.57098
752 5JE8 NAD 7.61589
753 1VI2 NAD 7.66667
754 3GEG NAD 7.69231
755 2WQ4 SFU 7.69231
756 4RF2 NAP 7.72059
757 4YAC NAI 7.74411
758 1C3V NDP 7.7551
759 5MSO NAP 7.76398
760 1U8X NAD 7.76398
761 2IVD FAD 7.76398
762 3UCL NAP 7.76398
763 3UCL FAD 7.76398
764 3UCL CYH 7.76398
765 1QMG APX 7.76398
766 1N7G GDR 7.76398
767 4OM8 NAD 7.76699
768 2Q2V NAD 7.84314
769 2BKA NDP 7.85124
770 2F1K NAP 7.8853
771 1ZK4 NAP 7.96813
772 1ZK4 AC0 7.96813
773 1NPD NAD 7.98611
774 2WEL K88 8
775 1JAY NAP 8.01887
776 5YU3 NAD 8.07453
777 5YU3 PRO 8.07453
778 1R37 NAD 8.07453
779 4II2 ATP 8.07453
780 1H82 GZZ 8.07453
781 1H82 FAD 8.07453
782 5U5G NAP 8.13559
783 3OA2 NAD 8.1761
784 3SJU NDP 8.24373
785 2YVJ NAI 8.25688
786 3DXY SAM 8.25688
787 2YVJ FAD 8.25688
788 1EJ0 SAM 8.33333
789 1KPG SAH 8.36237
790 1KPH SAH 8.36237
791 1C1X NAD 8.38509
792 1F8F NAD 8.38509
793 1BXG NAD 8.38509
794 5XWC 8GL 8.38509
795 5XWC 2IT 8.38509
796 5XWC NAP 8.38509
797 1BW9 NAD 8.38509
798 1O9W NAG 8.47458
799 4YCA NDP 8.5034
800 3QV1 NAD 8.53659
801 1EK6 NAI 8.62069
802 1EK6 UPG 8.62069
803 4IF4 BEF 8.65385
804 2JHP SAH 8.69565
805 5YEC ATP 8.69565
806 1N9G NAP 8.69565
807 4WAS NAP 8.69565
808 4J36 1HR 8.69565
809 4J36 FAD 8.69565
810 5X9D 80F 8.88158
811 1N2X SAM 8.9701
812 3A06 NDP 9.00621
813 1X87 NAD 9.00621
814 4W6Z 8ID 9.00621
815 3A06 FOM 9.00621
816 1TPY SAH 9.05923
817 4QTU SAM 9.13461
818 4NBT NAD 9.16667
819 5ZI9 FLC 9.23077
820 3QWI NAP 9.25926
821 2FR1 NDP 9.25926
822 1KJ8 GAR 9.31677
823 1CDO NAD 9.31677
824 1XCL SAH 9.3617
825 1E6E FAD 9.375
826 2A40 ATP 9.375
827 1BDB NAD 9.38628
828 2W58 ADP 9.40594
829 6F3N ADN 9.5339
830 6F3N NAD 9.5339
831 1HDG NAD 9.62733
832 3D1R FBP 9.62733
833 3UVD MB3 9.67742
834 1XHL NDP 9.76431
835 6F3M NAD 9.78261
836 2GUE NAG 9.83607
837 2GUC MAN 9.83607
838 2GUD BMA 9.83607
839 2GUD MAN 9.83607
840 2NU5 NAG 9.83607
841 2HYQ MAN MAN 9.83607
842 2NXE SAM 9.84252
843 1HKU NAD 9.93789
844 6A0S HSE 9.93789
845 6A0S NDP 9.93789
846 2FF3 ATP 10
847 2AE2 PTO 10
848 2AE2 NAP 10
849 1CZR FMN 10.0592
850 2YIP YIO 10.1449
851 3FXU TSU 10.1639
852 3ABI NAD 10.2484
853 2NVK NAP 10.2484
854 1GY8 NAD 10.2484
855 1OC2 NAD 10.2484
856 1OC2 TDX 10.2484
857 3Q87 SAM 10.4
858 3V1U NAD 10.559
859 1V8B NAD 10.559
860 3CGB FAD 10.559
861 2GNM MAN 10.7143
862 4ITU 1HS 10.7807
863 4ITU NAI 10.7807
864 2CDC NAP 10.8696
865 2CDC XYP 10.8696
866 2CDC XYS 10.8696
867 1AFS TES 10.8696
868 6BQ6 TER 10.8696
869 5VKT NAP 10.8696
870 3AXB FAD 10.9375
871 3MB5 SAM 10.9804
872 3Q3C NAD 11.0368
873 5TC4 NAD 11.0759
874 2VT3 ATP 11.1628
875 2GZ3 NAP 11.1801
876 1GQ2 NAP 11.1801
877 2X68 CTE 11.1801
878 1BXK NAD 11.4907
879 2GN4 UD1 11.4907
880 2GN4 NDP 11.4907
881 2BGM NAJ 11.5108
882 1B7T ADP 11.5385
883 1Z45 NAD 11.8012
884 1PGP 6PG 11.8012
885 3R51 MMA 11.875
886 4B4U NAP 11.8812
887 4POO SAM 12
888 2PWY SAH 12.0155
889 4XZ3 COA 12.1739
890 1SAY PYR 12.1884
891 6AA8 NAD 12.5828
892 4XYM COA 12.6087
893 1WVG APR 12.7329
894 2ZIF SAM 12.7946
895 1OBB NAD 13.0435
896 2Z3Y F2N 13.0435
897 1LUA NAP 13.2404
898 1FEC FAD 13.354
899 2BZG SAH 13.3621
900 4EFH ADP 13.6364
901 1DLJ NAI 13.6646
902 1DLJ UGA 13.6646
903 1F9V ADP 13.6646
904 3SQP FAD 13.6646
905 5ODQ FAD 13.6646
906 4PL8 ATP 13.6986
907 2X6T NAP 13.9752
908 3WMX NAD 13.9752
909 1WG8 SAM 14.0351
910 3SJ7 NDP 14.2857
911 2Y6Q FAD 14.2857
912 1JG3 ADN 14.4681
913 1EQ2 NAP 14.5161
914 4MDH NAD 14.5963
915 5MDH MAK 14.5963
916 5MDH NAD 14.5963
917 2GAG NAD 14.7619
918 2XYQ SAH 15.1724
919 3OFK SAH 15.2778
920 3RJ5 NAD 15.3543
921 4YSX FAD 15.3846
922 2WDQ CBE 15.5039
923 1VJT NAD 15.528
924 6CI9 NAP 15.8301
925 5J5Z FAD 16.1491
926 2F5Z FAD 16.1491
927 3Q9N COA 16.3121
928 3CGD FAD 16.4596
929 3CGD NAD 16.4596
930 3CGD COA 16.4596
931 6F9Q NAD 16.5441
932 5Y77 FAD 17.0807
933 3GFB NAD 17.3913
934 5U8U FAD 17.3913
935 5MZI FAD 17.7019
936 5MZI FYK 17.7019
937 2EWM NAD 18.0723
938 4RJD TFP 18.1818
939 3VY6 BGC BGC 18.4397
940 1LSS NAD 18.5714
941 5VN0 NAI 18.6335
942 5VN0 FAD 18.6335
943 3NGL NAP 19.5652
944 6EVN PRO PRO GLY PRO ALA GLY PRO PRO GLY 19.6078
945 2WSB NAD 19.685
946 2CDU ADP 19.8758
947 2NPX NAD 19.8758
948 2NPX FAD 19.8758
949 2CDU FAD 19.8758
950 5B4T 3HR 22.6923
951 5B4T NAD 22.6923
952 2Q1W NAD 22.9814
953 3MN5 ATP 23.6842
954 1B8U OAA 25.4658
955 1B8U NAD 25.4658
956 5TQZ GLC 26
957 5W7B MYR 26.2411
958 5NUF NAD 33.1325
959 5NUE NAD 33.1325
960 2CVQ NDP 42.8135
Pocket No.: 2; Query (leader) PDB : 1T26; Ligand: NAI; 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: 1t26.bio1) has 43 residues
No: Leader PDB Ligand Sequence Similarity
Pocket No.: 3; Query (leader) PDB : 1T26; Ligand: NAI; Similar sites found with APoc: No similar binding sites found, or similarity not calculated due to duplicate pocket.
This union binding pocket(no: 3) in the query (biounit: 1t26.bio1) has 43 residues
No: Leader PDB Ligand Sequence Similarity
Pocket No.: 4; Query (leader) PDB : 1T26; Ligand: NAI; 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: 1t26.bio1) has 43 residues
No: Leader PDB Ligand Sequence Similarity
Pocket No.: 5; Query (leader) PDB : 1T26; Ligand: GBD; Similar sites found with APoc: 960
This union binding pocket(no: 5) in the query (biounit: 1t26.bio1) has 43 residues
No: Leader PDB Ligand Sequence Similarity
1 5N53 8NB None
2 5OFW 9TW None
3 3KIH GDL None
4 2BOS GLA GAL GLC NBU None
5 2BOS GLA GAL GLC None
6 5N6C NAD 1
7 1L1E SAH 1.0453
8 1Z6Z NAP 1.06383
9 1I9G SAM 1.07143
10 5BW4 SAM 1.1236
11 5O4J PJL 1.24224
12 5O4J SAH 1.24224
13 5O4J 9KH 1.24224
14 2JJQ SAH 1.24224
15 4KWI 1TJ 1.52091
16 4KWI NAP 1.52091
17 2XZ9 PYR 1.5528
18 5YAP 8S0 1.5528
19 5YAP NAI 1.5528
20 2JHF NAD 1.5528
21 2ZB3 NDP 1.5528
22 2DKH FAD 1.5528
23 1Y79 GLY ASP 1.5528
24 4KIB SAH 1.5528
25 1B63 ANP 1.5528
26 3C1O NAP 1.55763
27 3A4V PYR 1.57729
28 3A4V NAD 1.57729
29 5X20 NAD 1.60256
30 5OVL NAP 1.66667
31 4DPL NAP 1.67131
32 1XG5 NAP 1.79211
33 5KVA SAM 1.79856
34 2HK9 ATR 1.81818
35 2HK9 NAP 1.81818
36 3O0W MAN MAN MAN GLC 1.8315
37 2ZJ1 ARJ 1.86335
38 2ZJ1 NAD 1.86335
39 1H2B NAJ 1.86335
40 3LU1 NAD 1.86335
41 4JBI NDP 1.86335
42 5Z20 NAI 1.86335
43 5FPE 3TR 1.86335
44 1BZL GCG 1.86335
45 4XCZ T3Q 1.86335
46 5Y1G AKB 1.86335
47 5Y1G NAD 1.86335
48 1BZL FAD 1.86335
49 6BWL NAD 1.86335
50 5NM7 GLY 1.8797
51 1X1T NAD 1.92308
52 3AFN NAP 1.93798
53 3VYW SAM 1.94805
54 5OVK NDP 1.95312
55 2DKN NAI 1.96078
56 5ZBL AMP 1.97044
57 3NUG NAD 2.02429
58 4A34 FUL 2.04082
59 1HDR NAD 2.04918
60 2AOT SAH 2.05479
61 4GKV NAD 2.08333
62 5WUW NAP 2.09059
63 3C3Y SAH 2.1097
64 1RP0 AHZ 2.11268
65 5LOG SAH 2.14592
66 5U5N NAD 2.15054
67 2NAD NAD 2.17391
68 5M67 ADE 2.17391
69 5M67 NAD 2.17391
70 5M67 3D1 2.17391
71 1VL8 NAP 2.17391
72 1Y1P NMN AMP PO4 2.17391
73 1E3I CXF 2.17391
74 1KEV NDP 2.17391
75 2J8Z NAP 2.17391
76 1K3T BRZ 2.17391
77 4JBL MET 2.17391
78 2JAH NDP 2.17391
79 2WPB ZZI 2.17391
80 2Q7V FAD 2.17391
81 6FDF SAH 2.17391
82 4OPC PGT 2.17391
83 3GMB FAD 2.17391
84 3DMH SAM 2.17391
85 4OPC FDA 2.17391
86 6F5Z SAH 2.17391
87 4U8P