Receptor
PDB id Resolution Class Description Source Keywords
1XG3 1.9 Å EC: 4.1.3.30 CRYSTAL STRUCTURE OF THE C123S 2-METHYLISOCITRATE LYASE MUTANT FROM ESCHERICHIA COLI IN COMPLEX WITH THE REACTION P RODUCT, MG(II)-PYRUVATE AND SUCCINATE ESCHERICHIA COLI 2-METHYLISOCITRATE LYASE/PRODUCT COMPLEX SUCCINATE PYRUVATE ISOCITRATE LYASE SUPERFAMILY
Ref.: CRYSTAL STRUCTURES OF 2-METHYLISOCITRATE LYASE IN COMPLEX WITH PRODUCT AND WITH ISOCITRATE INHIBITOR PROVIDE INSIGHT INTO LYASE SUBSTRATE SPECIFICITY, CATALYSIS AND EVOLUTION BIOCHEMISTRY V. 44 2949 2005
Ligand
Ligand Chain:Residue Validity Ligand Warnings Binding Data NGL Viewer Molecular Weight (Da) Formula SMILES
MG A:2101;
B:2201;
C:2301;
D:2401;
 Part of Protein;
Part of Protein;
Part of Protein;
Part of Protein;
 none;
none;
none;
none;
 submit data
24.305 Mg [Mg+2...
PYR A:2105;
B:2205;
C:2305;
D:2405;
 Valid;
Valid;
Valid;
Valid;
 none;
none;
none;
none;
 submit data
88.062 C3 H4 O3 CC(=O...
SIN A:2106;
B:2206;
D:2406;
 Valid;
Valid;
Valid;
 none;
none;
none;
 submit data
118.088 C4 H6 O4 C(CC(...
View in 3D viewer
90% Homology Family
Leader
PDB id Resolution Class Description Source Keywords
1XG4 1.6 Å EC: 4.1.3.30 CRYSTAL STRUCTURE OF THE C123S 2-METHYLISOCITRATE LYASE MUTANT FROM ESCHERICHIA COLI IN COMPLEX WITH THE INHIBITOR I SOCITRATE ESCHERICHIA COLI 2-METHYLISOCITRATE LYASE/INHIBITOR COMPLEX ISOCITRATE ISOCITRATE LYASE SUPERFAMILY
Ref.: CRYSTAL STRUCTURES OF 2-METHYLISOCITRATE LYASE IN COMPLEX WITH PRODUCT AND WITH ISOCITRATE INHIBITOR PROVIDE INSIGHT INTO LYASE SUBSTRATE SPECIFICITY, CATALYSIS AND EVOLUTION BIOCHEMISTRY V. 44 2949 2005
Members (2)
No: PDB id Binding Data Representative ligand Formula Smiles
The Class containing this family consists of a total of 2 families.
1 1XG4 - ICT C6 H8 O7 C([C@@H]([....
2 1XG3 - PYR C3 H4 O3 CC(=O)C(=O....
70% Homology Family (3)
No: PDB id Binding Data Representative ligand Formula Smiles
The Class containing this family consists of a total of 1 families.
1 1O5Q - PYR C3 H4 O3 CC(=O)C(=O....
2 1XG4 - ICT C6 H8 O7 C([C@@H]([....
3 1XG3 - PYR C3 H4 O3 CC(=O)C(=O....
50% Homology Family (5)
No: PDB id Binding Data Representative ligand Formula Smiles
The Class containing this family consists of a total of 1 families.
1 1PYM - OXL C2 O4 C(=O)(C(=O....
2 1M1B Ki = 22 uM SPV C3 H4 O6 S C(C(=O)C(=....
3 1XG3 - PYR C3 H4 O3 CC(=O)C(=O....
4 2DUA Ki = 17 uM OXL C2 O4 C(=O)(C(=O....
5 2HJP - PPR C3 H5 O6 P C(C(=O)C(=....
Polypharmacology
Similar Ligands (2D)
Ligand no: 1; Ligand: PYR; Similar ligands found: 7
No: Ligand ECFP6 Tc MDL keys Tc
1 PYR 1 1
2 ACY 0.636364 0.636364
3 OXD 0.545455 0.642857
4 F50 0.428571 0.6
5 2KT 0.411765 0.733333
6 AAE 0.411765 0.625
7 KIV 0.411765 0.785714
Ligand no: 2; Ligand: SIN; Similar ligands found: 17
No: Ligand ECFP6 Tc MDL keys Tc
1 SIN 1 1
2 3OH 0.6 0.65
3 SHF 0.588235 0.684211
4 SLP 0.5625 0.6
5 GUA 0.5625 0.882353
6 0L1 0.5625 0.833333
7 BUA 0.5625 0.611111
8 AKG 0.526316 0.833333
9 2IT 0.5 0.625
10 MLA 0.5 0.722222
11 PML 0.5 0.789474
12 AZ1 0.473684 0.75
13 SSN 0.473684 0.866667
14 OKG 0.454545 0.7
15 TCE 0.45 0.625
16 SHO 0.428571 0.619048
17 9J3 0.416667 0.608696
Similar Ligands (3D)
Ligand no: 1; Ligand: PYR; Similar ligands found: 403
No: Ligand Similarity coefficient
1 OXM 1.0000
2 HBS 1.0000
3 HBR 1.0000
4 NAK 1.0000
5 ALQ 1.0000
6 DAL 1.0000
7 ALA 1.0000
8 NIS 1.0000
9 2OP 1.0000
10 LAC 1.0000
11 PYM 1.0000
12 OXL 1.0000
13 BUO 1.0000
14 HGY 1.0000
15 5Y9 1.0000
16 TF4 0.9897
17 THR 0.9859
18 BU4 0.9801
19 DXX 0.9793
20 39J 0.9787
21 MB3 0.9783
22 DGY 0.9781
23 03W 0.9781
24 1AC 0.9772
25 AOA 0.9760
26 SER 0.9754
27 3ZS 0.9752
28 BAL 0.9734
29 PPI 0.9734
30 3OH 0.9733
31 HSL 0.9723
32 3PY 0.9721
33 KSW 0.9709
34 DSN 0.9707
35 BMD 0.9701
36 FAH 0.9700
37 HIU 0.9691
38 NIE 0.9688
39 GLV 0.9687
40 HUI 0.9681
41 GLY 0.9679
42 J3K 0.9679
43 CYS 0.9678
44 DE2 0.9673
45 3TR 0.9670
46 KG7 0.9663
47 4AX 0.9663
48 A3B 0.9661
49 DBB 0.9661
50 2RA 0.9657
51 2A3 0.9652
52 2AI 0.9651
53 ALF 0.9650
54 0PY 0.9650
55 DMI 0.9642
56 3MT 0.9641
57 6SP 0.9637
58 1CB 0.9637
59 SAR 0.9628
60 GBL 0.9626
61 HOW 0.9623
62 AKR 0.9623
63 2MZ 0.9618
64 AMT 0.9618
65 1MZ 0.9611
66 2A1 0.9611
67 7EX 0.9610
68 MMZ 0.9609
69 DCY 0.9605
70 MR3 0.9604
71 GOA 0.9603
72 C2N 0.9599
73 5MP 0.9594
74 B20 0.9593
75 BAQ 0.9591
76 4MZ 0.9590
77 HAE 0.9589
78 BUA 0.9583
79 BNZ 0.9582
80 P1R 0.9581
81 C5J 0.9580
82 GOL 0.9579
83 F3V 0.9576
84 PHZ 0.9575
85 NHY 0.9574
86 SMB 0.9571
87 ABA 0.9571
88 61G 0.9565
89 HVB 0.9565
90 AGU 0.9561
91 BUQ 0.9560
92 R3W 0.9548
93 ATQ 0.9548
94 DTI 0.9548
95 5KX 0.9548
96 9A4 0.9544
97 BUB 0.9541
98 3CL 0.9533
99 MGX 0.9532
100 XAP 0.9503
101 PZO 0.9499
102 JZ6 0.9497
103 MZY 0.9492
104 NMU 0.9488
105 TRI 0.9486
106 CYH 0.9483
107 CXL 0.9483
108 HAI 0.9477
109 BRP 0.9473
110 MLA 0.9469
111 IPH 0.9456
112 SLP 0.9447
113 HLT 0.9445
114 3HR 0.9444
115 PPF 0.9444
116 TSZ 0.9443
117 3GR 0.9442
118 HVK 0.9439
119 IMD 0.9439
120 HUH 0.9433
121 MLI 0.9429
122 BYZ 0.9426
123 MLM 0.9425
124 3BB 0.9425
125 PYZ 0.9424
126 ATO 0.9421
127 ES3 0.9421
128 LGA 0.9419
129 A2Q 0.9419
130 TAY 0.9417
131 DTL 0.9416
132 PXO 0.9416
133 2AP 0.9414
134 EGD 0.9408
135 XIX 0.9402
136 MBN 0.9400
137 MTG 0.9400
138 40O 0.9400
139 1BP 0.9399
140 3ZQ 0.9392
141 3HL 0.9391
142 MEU 0.9389
143 DMG 0.9389
144 HYN 0.9380
145 BXA 0.9372
146 9PO 0.9367
147 3AP 0.9364
148 4AP 0.9363
149 L60 0.9361
150 HRZ 0.9356
151 V1L 0.9352
152 2IM 0.9352
153 23W 0.9349
154 93B 0.9344
155 GXV 0.9339
156 2HA 0.9330
157 WOT 0.9318
158 CP2 0.9308
159 MZ0 0.9304
160 4XX 0.9303
161 IVA 0.9290
162 8CL 0.9288
163 FP2 0.9285
164 PIH 0.9283
165 MRY 0.9282
166 2HP 0.9280
167 HHN 0.9276
168 JZ0 0.9272
169 LER 0.9271
170 HV2 0.9270
171 CAQ 0.9263
172 TTO 0.9262
173 93Q 0.9262
174 ABU 0.9262
175 L89 0.9258
176 GXE 0.9257
177 HGW 0.9254
178 1AN 0.9252
179 J1Z 0.9247
180 ETF 0.9247
181 76X 0.9244
182 TFB 0.9244
183 BXO 0.9236
184 938 0.9232
185 TCV 0.9231
186 2AF 0.9230
187 IQ0 0.9227
188 FW5 0.9225
189 4DX 0.9222
190 H3M 0.9215
191 8LG 0.9213
192 92Z 0.9212
193 OXE 0.9204
194 24T 0.9194
195 PRI 0.9190
196 D2P 0.9182
197 TMT 0.9179
198 BEW 0.9179
199 MMU 0.9177
200 CEJ 0.9176
201 TMZ 0.9175
202 285 0.9172
203 2CH 0.9170
204 P2D 0.9167
205 HTS 0.9160
206 CHT 0.9157
207 SSN 0.9157
208 ITU 0.9146
209 E60 0.9144
210 NVI 0.9142
211 8FH 0.9138
212 8X3 0.9134
213 6X8 0.9131
214 192 0.9131
215 03S 0.9122
216 HSW 0.9120
217 BAE 0.9118
218 25T 0.9113
219 TAU 0.9111
220 TB0 0.9109
221 2PC 0.9106
222 PRO 0.9106
223 FUS 0.9099
224 SGL 0.9087
225 YAN 0.9086
226 DCD 0.9085
227 280 0.9081
228 TBU 0.9081
229 1SP 0.9081
230 FJO 0.9078
231 PRS 0.9069
232 ALO 0.9064
233 1DH 0.9062
234 DTU 0.9061
235 TMO 0.9056
236 GB 0.9055
237 BVC 0.9054
238 DUC 0.9053
239 TAN 0.9043
240 4JU 0.9042
241 HPY 0.9040
242 LG3 0.9037
243 278 0.9037
244 ODV 0.9032
245 25R 0.9031
246 URA 0.9025
247 ETM 0.9022
248 2HE 0.9019
249 ICN 0.9017
250 DPR 0.9008
251 8GF 0.9006
252 284 0.9004
253 CRS 0.9004
254 FOA 0.9002
255 AKB 0.9001
256 PCR 0.8999
257 POA 0.8998
258 T2C 0.8998
259 BF4 0.8997
260 LG5 0.8996
261 VAL 0.8994
262 PO4 0.8994
263 FMS 0.8991
264 DTT 0.8989
265 MSF 0.8988
266 RP7 0.8988
267 BVG 0.8988
268 TZC 0.8984
269 26D 0.8983
270 HVQ 0.8983
271 2EZ 0.8981
272 P7I 0.8979
273 PAE 0.8977
274 FCN 0.8976
275 TFS 0.8973
276 CYT 0.8970
277 JBN 0.8963
278 BVF 0.8963
279 DA1 0.8962
280 LG4 0.8962
281 PYC 0.8958
282 JAB 0.8956
283 HQE 0.8954
284 EDO 0.8949
285 4JN 0.8947
286 2MH 0.8944
287 TP5 0.8943
288 RCO 0.8941
289 CNH 0.8938
290 FPO 0.8936
291 WO6 0.8934
292 VSO 0.8932
293 3CH 0.8931
294 9X7 0.8931
295 2PA 0.8930
296 CIG 0.8929
297 MAK 0.8922
298 PUT 0.8917
299 FPN 0.8903
300 4CH 0.8897
301 1DU 0.8896
302 BML 0.8895
303 HEW 0.8895
304 ECE 0.8893
305 PLQ 0.8892
306 B3R 0.8891
307 IDH 0.8890
308 1XX 0.8890
309 PXY 0.8887
310 HGQ 0.8886
311 RSF 0.8886
312 ISU 0.8877
313 4HS 0.8873
314 BRJ 0.8872
315 265 0.8862
316 HHQ 0.8862
317 DAB 0.8857
318 273 0.8857
319 M3T 0.8854
320 SYN 0.8849
321 IOL 0.8841
322 4H2 0.8839
323 HCS 0.8829
324 NEQ 0.8823
325 C21 0.8819
326 NCM 0.8815
327 HSE 0.8814
328 MMQ 0.8813
329 ART 0.8805
330 PEJ 0.8805
331 YHO 0.8801
332 CSS 0.8790
333 OSM 0.8786
334 NVA 0.8784
335 CP 0.8779
336 URF 0.8769
337 SMV 0.8769
338 ICC 0.8766
339 MTD 0.8763
340 282 0.8757
341 NOE 0.8738
342 1MC 0.8736
343 ICP 0.8735
344 TDR 0.8735
345 DCL 0.8728
346 3SY 0.8728
347 APY 0.8722
348 FPY 0.8718
349 4HO 0.8703
350 ACT 0.8702
351 MWJ 0.8697
352 AMC 0.8696
353 XYD 0.8696
354 ABN 0.8690
355 27Y 0.8685
356 A1U 0.8684
357 1PT 0.8683
358 MWM 0.8682
359 4CL 0.8680
360 3MC 0.8680
361 HY3 0.8678
362 0CT 0.8678
363 TZZ 0.8678
364 9XN 0.8677
365 MZG 0.8675
366 MCT 0.8674
367 5MH 0.8673
368 BR9 0.8669
369 1AB 0.8669
370 GVH 0.8667
371 WBU 0.8666
372 JZ1 0.8657
373 0R1 0.8656
374 JZ2 0.8655
375 ACM 0.8655
376 4JJ 0.8651
377 IHG 0.8650
378 4JP 0.8649
379 BZI 0.8649
380 1MR 0.8648
381 5UC 0.8646
382 FFP 0.8642
383 IND 0.8642
384 R8A 0.8639
385 EDG 0.8635
386 9CL 0.8633
387 PYJ 0.8631
388 NBE 0.8626
389 LZ1 0.8626
390 BZF 0.8625
391 IUR 0.8618
392 JZ3 0.8618
393 FLM 0.8612
394 73M 0.8600
395 PY7 0.8599
396 3FA 0.8595
397 AXO 0.8594
398 MBD 0.8583
399 SIN 0.8579
400 SEY 0.8576
401 HBX 0.8571
402 AF3 0.8571
403 PYG 0.8569
Ligand no: 2; Ligand: SIN; Similar ligands found: 876
No: Ligand Similarity coefficient
1 FUM 1.0000
2 GAG 1.0000
3 BEZ 1.0000
4 MAE 1.0000
5 OAA 1.0000
6 H95 1.0000
7 HX2 1.0000
8 NMG 1.0000
9 4MV 0.9980
10 OEG 0.9902
11 ASP 0.9816
12 URP 0.9795
13 MLT 0.9789
14 LEA 0.9761
15 LMR 0.9760
16 DYA 0.9758
17 COI 0.9756
18 OK7 0.9751
19 UGC 0.9747
20 DQY 0.9744
21 CMS 0.9733
22 VKC 0.9731
23 SPA 0.9714
24 ASN 0.9703
25 2RH 0.9700
26 ABU 0.9690
27 TEO 0.9687
28 IOM 0.9677
29 CRN 0.9677
30 GLY GLY 0.9675
31 ITN 0.9673
32 MLI 0.9663
33 98J 0.9641
34 JYD 0.9641
35 DAS 0.9637
36 NXA 0.9629
37 PGA 0.9615
38 0VT 0.9612
39 PG3 0.9608
40 HTX 0.9605
41 DAV 0.9590
42 BUB 0.9589
43 LEU 0.9583
44 HDA 0.9577
45 ALO 0.9575
46 PRO 0.9567
47 GLU 0.9556
48 VAL 0.9553
49 KIV 0.9552
50 TFB 0.9549
51 AKB 0.9549
52 G3P 0.9548
53 6NA 0.9544
54 4JU 0.9541
55 FBJ 0.9541
56 40E 0.9541
57 THR 0.9539
58 JZ5 0.9535
59 IPU 0.9528
60 X1S 0.9525
61 IVA 0.9523
62 THE 0.9520
63 1KA 0.9517
64 A8C 0.9514
65 DMG 0.9511
66 PCA 0.9505
67 1GP 0.9503
68 2MH 0.9500
69 P2D 0.9498
70 HSE 0.9496
71 9X7 0.9489
72 HZP 0.9486
73 PUT 0.9484
74 IQ0 0.9478
75 54D 0.9473
76 AAE 0.9471
77 UYA 0.9467
78 PAC 0.9463
79 ILE 0.9461
80 ETX 0.9458
81 T2C 0.9453
82 3PP 0.9451
83 VAH 0.9444
84 AL0 0.9442
85 MLM 0.9442
86 DAB 0.9440
87 MAK 0.9439
88 GLN 0.9438
89 DXX 0.9437
90 C21 0.9435
91 2RA 0.9433
92 9X6 0.9432
93 PAE 0.9432
94 NCA 0.9430
95 IZC 0.9425
96 9YL 0.9420
97 BMD 0.9417
98 2PC 0.9415
99 HYP 0.9414
100 PRS 0.9413
101 SRT 0.9409
102 GLL 0.9408
103 O8Y 0.9408
104 YIV 0.9408
105 K34 0.9407
106 BEN 0.9406
107 UY7 0.9404
108 DPR 0.9403
109 2KT 0.9401
110 4HA 0.9401
111 273 0.9398
112 3HR 0.9398
113 MUC 0.9397
114 URO 0.9397
115 69O 0.9390
116 49F 0.9389
117 FQI 0.9388
118 TP5 0.9386
119 3HL 0.9384
120 HCS 0.9382
121 DSN 0.9382
122 BML 0.9382
123 282 0.9381
124 NVA 0.9381
125 IHG 0.9381
126 PAH 0.9377
127 3PY 0.9376
128 FPI 0.9376
129 HSO 0.9375
130 NIO 0.9374
131 DGN 0.9373
132 TZC 0.9370
133 S0H 0.9370
134 4CH 0.9368
135 SER 0.9366
136 HSM 0.9364
137 XAP 0.9362
138 16D 0.9362
139 BXO 0.9359
140 SD4 0.9358
141 3SL 0.9357
142 PBC 0.9357
143 TAR 0.9356
144 7WG 0.9355
145 MEQ 0.9355
146 AG2 0.9353
147 ZBT 0.9352
148 BAM 0.9347
149 TLA 0.9344
150 SS2 0.9342
151 A20 0.9342
152 OPE 0.9342
153 DE5 0.9341
154 ISZ 0.9340
155 HE2 0.9339
156 QFH 0.9339
157 CCE 0.9338
158 TB6 0.9337
159 SPV 0.9334
160 CFI 0.9333
161 CIZ 0.9331
162 JBN 0.9328
163 HBA 0.9328
164 PGH 0.9327
165 1DU 0.9326
166 AC0 0.9325
167 AHB 0.9325
168 PG0 0.9324
169 6PC 0.9324
170 CP 0.9322
171 C5J 0.9319
172 FOA 0.9318
173 BHH 0.9317
174 3SS 0.9314
175 GGL 0.9314
176 SMB 0.9314
177 PAF 0.9313
178 SMV 0.9313
179 13P 0.9313
180 7N0 0.9311
181 PE9 0.9311
182 PEP 0.9310
183 192 0.9310
184 7VD 0.9310
185 R2B 0.9310
186 BNS 0.9307
187 PHU 0.9307
188 LTL 0.9307
189 PYC 0.9306
190 EOU 0.9305
191 HIO 0.9304
192 QY9 0.9304
193 ECE 0.9301
194 UNU 0.9300
195 M6W 0.9299
196 2HG 0.9299
197 GG6 0.9299
198 ACH 0.9297
199 ORN 0.9295
200 LNO 0.9294
201 A3B 0.9293
202 AC5 0.9293
203 NTN 0.9293
204 265 0.9293
205 NIZ 0.9292
206 HL5 0.9291
207 ABN 0.9290
208 AML 0.9290
209 9ON 0.9289
210 R67 0.9288
211 ROR 0.9287
212 FBM 0.9286
213 23B 0.9286
214 F9P 0.9284
215 OCT 0.9284
216 7BC 0.9283
217 M4T 0.9283
218 TZL 0.9282
219 NBN 0.9282
220 5XA 0.9281
221 LLQ 0.9278
222 GP9 0.9277
223 URQ 0.9276
224 RSO 0.9276
225 GLY ALA 0.9274
226 WTZ 0.9273
227 IP8 0.9272
228 XBT 0.9272
229 TFS 0.9271
230 M58 0.9270
231 BE7 0.9269
232 BHO 0.9267
233 SKG 0.9267
234 PSE 0.9267
235 ZGL 0.9264
236 BUQ 0.9263
237 ONL 0.9262
238 CYS 0.9262
239 14J 0.9262
240 BP9 0.9262
241 2CO 0.9260
242 RBL 0.9259
243 QSC 0.9258
244 SAT 0.9256
245 PZA 0.9254
246 N6C 0.9253
247 I4B 0.9253
248 MPD 0.9251
249 BAL 0.9249
250 TPA 0.9248
251 DGL 0.9246
252 3S5 0.9246
253 PZI 0.9245
254 EHM 0.9245
255 DE2 0.9244
256 G3H 0.9243
257 FEH 0.9242
258 MTD 0.9240
259 SS1 0.9238
260 DGY 0.9238
261 03W 0.9238
262 LER 0.9237
263 23W 0.9237
264 2IM 0.9236
265 4VP 0.9234
266 ICF 0.9231
267 HYA 0.9230
268 LG4 0.9230
269 1DQ 0.9229
270 HIU 0.9228
271 PPR 0.9226
272 HQE 0.9225
273 URS 0.9223
274 S2G 0.9223
275 NBZ 0.9222
276 SHV 0.9221
277 YCP 0.9216
278 5FX 0.9214
279 2AS 0.9214
280 1SP 0.9214
281 PLQ 0.9214
282 MRZ 0.9213
283 QDK 0.9212
284 FW5 0.9211
285 PKU 0.9209
286 XYL 0.9208
287 RB0 0.9208
288 RB5 0.9208
289 HAI 0.9206
290 1SH 0.9206
291 9TY 0.9205
292 HP6 0.9204
293 129 0.9203
294 MSF 0.9203
295 CXF 0.9203
296 FPY 0.9200
297 GJZ 0.9200
298 IXW 0.9200
299 HBX 0.9197
300 266 0.9195
301 VGL 0.9195
302 MRY 0.9195
303 PEQ 0.9194
304 3V4 0.9193
305 AMC 0.9193
306 PPV 0.9192
307 1PT 0.9192
308 DSS 0.9190
309 I1E 0.9189
310 HIS 0.9189
311 3BB 0.9188
312 1AC 0.9188
313 XUL 0.9187
314 1SA 0.9186
315 PCR 0.9186
316 NBE 0.9186
317 PCT 0.9184
318 OGA 0.9182
319 DBB 0.9182
320 MZ0 0.9182
321 C2N 0.9179
322 C2B 0.9179
323 ABA 0.9178
324 IDM 0.9177
325 HUI 0.9177
326 R9M 0.9176
327 DCY 0.9176
328 PXY 0.9176
329 0V5 0.9175
330 CYX 0.9175
331 KMH 0.9173
332 4JL 0.9172
333 FLA 0.9170
334 SYN 0.9169
335 PYJ 0.9168
336 JAB 0.9166
337 AC6 0.9162
338 FPN 0.9161
339 8EW 0.9160
340 XLS 0.9160
341 FBA 0.9160
342 CXL 0.9158
343 PY7 0.9158
344 3OL 0.9157
345 3OM 0.9157
346 4LR 0.9156
347 XRG 0.9155
348 NPO 0.9151
349 JZ7 0.9151
350 B24 0.9149
351 HY1 0.9148
352 DA1 0.9146
353 TAU 0.9145
354 DTL 0.9142
355 APY 0.9141
356 7A8 0.9141
357 HVQ 0.9140
358 4HS 0.9139
359 RNS 0.9137
360 FSG 0.9137
361 6JN 0.9134
362 CEJ 0.9134
363 CSS 0.9131
364 PIS 0.9129
365 FAN 0.9129
366 FCN 0.9129
367 TIU 0.9128
368 GZ3 0.9128
369 URF 0.9127
370 PHB 0.9127
371 1DV 0.9125
372 DMV 0.9124
373 MZW 0.9124
374 SNE 0.9123
375 LDU 0.9122
376 PEA 0.9121
377 DCL 0.9121
378 25R 0.9120
379 ITU 0.9119
380 PPF 0.9119
381 PRI 0.9118
382 KG7 0.9116
383 39J 0.9116
384 NLE 0.9116
385 3HG 0.9113
386 CHT 0.9113
387 7CL 0.9111
388 1MR 0.9108
389 PEL 0.9106
390 EDG 0.9106
391 XM0 0.9103
392 5BR 0.9103
393 3OC 0.9101
394 PAB 0.9099
395 CYH 0.9099
396 R1X 0.9098
397 AOA 0.9096
398 IT2 0.9096
399 271 0.9095
400 SGL 0.9092
401 280 0.9092
402 GBD 0.9091
403 HBD 0.9091
404 3HB 0.9089
405 HY3 0.9088
406 WBU 0.9088
407 OXQ 0.9084
408 POA 0.9083
409 60P 0.9083
410 GPJ 0.9083
411 GPF 0.9083
412 RNT 0.9080
413 GAB 0.9080
414 SEP 0.9080
415 COM 0.9079
416 P72 0.9079
417 MET 0.9075
418 ACA 0.9074
419 OHG 0.9072
420 BU4 0.9070
421 FMS 0.9070
422 8X3 0.9070
423 KMT 0.9067
424 MED 0.9067
425 KVV 0.9059
426 TZE 0.9059
427 WCE 0.9055
428 MEU 0.9054
429 1Y6 0.9053
430 4JN 0.9053
431 KPL 0.9052
432 FB2 0.9050
433 BTL 0.9050
434 JAE 0.9050
435 PMB 0.9048
436 J9N 0.9047
437 M3H 0.9046
438 J1Z 0.9046
439 MTG 0.9044
440 8K2 0.9040
441 4CS 0.9039
442 I2M 0.9038
443 3NT 0.9038
444 IMR 0.9037
445 XPO 0.9037
446 3AB 0.9037
447 PLU 0.9036
448 CHH 0.9035
449 5HN 0.9035
450 ODV 0.9035
451 BZX 0.9033
452 25T 0.9033
453 3LR 0.9033
454 A2Q 0.9032
455 NM2 0.9029
456 NM3 0.9029
457 POP 0.9028
458 V1L 0.9027
459 NVI 0.9026
460 PYF 0.9026
461 8GC 0.9024
462 PBZ 0.9024
463 826 0.9023
464 53C 0.9023
465 4SD 0.9018
466 ISU 0.9018
467 IPH 0.9017
468 CCU 0.9015
469 OVV 0.9015
470 J9T 0.9010
471 HV2 0.9010
472 DTU 0.9007
473 P7I 0.9006
474 ABV 0.9006
475 PIY 0.9006
476 9SB 0.9004
477 9RW 0.9002
478 SAR 0.9002
479 CCD 0.9001
480 BHL 0.8999
481 NF3 0.8996
482 5AC 0.8994
483 DPF 0.8993
484 M45 0.8993
485 4MA 0.8993
486 BVG 0.8992
487 SMN 0.8992
488 CEE 0.8992
489 FOC 0.8992
490 MXN 0.8991
491 EFS 0.8991
492 ICC 0.8988
493 1AB 0.8988
494 K7M 0.8988
495 GOJ 0.8988
496 14O 0.8987
497 F60 0.8986
498 4XR 0.8985
499 2HA 0.8985
500 JZ9 0.8984
501 2HE 0.8983
502 2EH 0.8980
503 650 0.8979
504 PIM 0.8978
505 SC2 0.8977
506 5H1 0.8975
507 3BZ 0.8973
508 IOL 0.8971
509 MNN 0.8971
510 0CT 0.8970
511 BZF 0.8969
512 2K4 0.8967
513 PZM 0.8967
514 HMH 0.8966
515 2FT 0.8966
516 BVC 0.8962
517 6AI 0.8962
518 PC 0.8961
519 2PN 0.8959
520 ETM 0.8959
521 9CL 0.8958
522 1MC 0.8958
523 HPN 0.8957
524 SW7 0.8957
525 BZI 0.8957
526 URA 0.8957
527 RMN 0.8956
528 4P5 0.8956
529 FJO 0.8955
530 EGD 0.8949
531 Z82 0.8946
532 1P3 0.8945
533 DEN 0.8945
534 5MI 0.8943
535 HDH 0.8943
536 BRT 0.8942
537 1DH 0.8942
538 FUL 0.8942
539 DYT 0.8941
540 4SV 0.8939
541 IDH 0.8938
542 1DJ 0.8938
543 K6H 0.8937
544 LXC 0.8937
545 6M4 0.8932
546 RSF 0.8932
547 IND 0.8932
548 LZ1 0.8929
549 ARB 0.8927
550 XYP 0.8926
551 H8N 0.8925
552 JFJ 0.8923
553 O7U 0.8923
554 717 0.8921
555 3GR 0.8921
556 KOJ 0.8920
557 FCR 0.8919
558 N4B 0.8919
559 SAL 0.8919
560 5MB 0.8918
561 4HO 0.8918
562 51F 0.8916
563 7MU 0.8916
564 174 0.8916
565 BAE 0.8915
566 0MK 0.8914
567 GOL 0.8911
568 2EZ 0.8910
569 XYS 0.8910
570 24B 0.8909
571 4JP 0.8909
572 3U4 0.8909
573 HPV 0.8909
574 45L 0.8904
575 NMJ 0.8904
576 HPY 0.8904
577 069 0.8902
578 TH7 0.8901
579 MCT 0.8893
580 IP0 0.8892
581 GRO 0.8891
582 258 0.8890
583 BE2 0.8890
584 PMF 0.8889
585 S8V 0.8889
586 BNF 0.8888
587 TH0 0.8888
588 TDR 0.8887
589 0R1 0.8887
590 HHI 0.8887
591 RTK 0.8887
592 DHI 0.8887
593 2MI 0.8886
594 MDN 0.8885
595 SAN 0.8884
596 AX7 0.8883
597 HPS 0.8883
598 3PG 0.8883
599 3SK 0.8881
600 3QM 0.8880
601 DS0 0.8879
602 G2H 0.8878
603 RIP 0.8878
604 2TQ 0.8877
605 4JM 0.8877
606 AT3 0.8876
607 2CK 0.8875
608 IFM 0.8875
609 270 0.8872
610 GVH 0.8872
611 CRS 0.8870
612 4ZA 0.8868
613 PBE 0.8867
614 ZZT 0.8867
615 MPI 0.8866
616 OTR 0.8865
617 4WL 0.8864
618 PRA 0.8864
619 RUU 0.8863
620 HYN 0.8860
621 11S 0.8859
622 HGQ 0.8859
623 4JT 0.8857
624 NK 0.8857
625 8EZ 0.8856
626 SME 0.8856
627 OEM 0.8854
628 XBZ 0.8853
629 93B 0.8852
630 ALA ALA 0.8851
631 MWM 0.8849
632 PO6 0.8849
633 HGA 0.8846
634 GXV 0.8846
635 DHS 0.8845
636 FYU 0.8844
637 173 0.8843
638 ES6 0.8842
639 KVP 0.8841
640 TSU 0.8837
641 VX 0.8837
642 DMJ 0.8836
643 40O 0.8836
644 IFL 0.8835
645 B40 0.8835
646 3YP 0.8833
647 DFU 0.8832
648 MYQ 0.8832
649 4ZE 0.8829
650 NPY 0.8827
651 KTA 0.8826
652 8GL 0.8825
653 TMH 0.8823
654 JKE 0.8822
655 3ID 0.8820
656 DAL DAL 0.8818
657 ES9 0.8818
658 BBU 0.8817
659 284 0.8816
660 J0Z 0.8815
661 FK8 0.8815
662 TIH 0.8813
663 DHB 0.8813
664 275 0.8813
665 VNJ 0.8813
666 MNM 0.8812
667 7WV 0.8810
668 JB5 0.8809
669 7EX 0.8809
670 FBW 0.8806
671 MZG 0.8805
672 HT4 0.8805
673 1WD 0.8805
674 449 0.8805
675 FBS 0.8805
676 2YU 0.8804
677 L60 0.8804
678 FUC 0.8803
679 264 0.8803
680 OSE 0.8803
681 8OZ 0.8802
682 MLE 0.8802
683 Z6J 0.8802
684 03V 0.8801
685 4A3 0.8801
686 QMP 0.8801
687 26D 0.8800
688 2AC 0.8798
689 JZ3 0.8798
690 COU 0.8797
691 H4N 0.8796
692 0OC 0.8796
693 YRL 0.8795
694 CNL 0.8795
695 DIR 0.8794
696 SYC 0.8794
697 0R0 0.8793
698 2AQ 0.8792
699 NCT 0.8792
700 INO 0.8790
701 FK1 0.8790
702 OCH 0.8788
703 QUZ 0.8788
704 8H8 0.8788
705 RBJ 0.8786
706 GXE 0.8784
707 HMU 0.8784
708 4NC 0.8784
709 F05 0.8783
710 AAS 0.8782
711 RP7 0.8782
712 AZF 0.8781
713 TAY 0.8781
714 5JC 0.8780
715 FAC 0.8779
716 ICN 0.8778
717 2MP 0.8778
718 NNO 0.8777
719 TM7 0.8777
720 4J8 0.8776
721 XYD 0.8774
722 DMD 0.8771
723 ARA 0.8770
724 5UC 0.8769
725 OXZ 0.8768
726 MBN 0.8767
727 4FA 0.8767
728 34A 0.8766
729 QOS 0.8765
730 A1U 0.8765
731 AGK 0.8764
732 XIX 0.8764
733 9TW 0.8764
734 51R 0.8764
735 LYS 0.8764
736 ES5 0.8763
737 6M9 0.8762
738 ABE 0.8761
739 CRD 0.8760
740 K2T 0.8760
741 B85 0.8760
742 L3Q 0.8759
743 P9P 0.8758
744 TYL 0.8756
745 FHB 0.8755
746 NSP 0.8755
747 64K 0.8754
748 24T 0.8753
749 152 0.8751
750 9A7 0.8751
751 3AP 0.8749
752 TMZ 0.8749
753 ICP 0.8748
754 PYD 0.8748
755 93K 0.8746
756 P92 0.8745
757 5MH 0.8745
758 3HM 0.8743
759 HCI 0.8743
760 XX2 0.8742
761 DUC 0.8741
762 AHR 0.8739
763 MWJ 0.8737
764 4CL 0.8736
765 2AL 0.8733
766 4JJ 0.8733
767 278 0.8733
768 2PG 0.8733
769 AEF 0.8732
770 WOT 0.8730
771 4FS 0.8728
772 43M 0.8728
773 286 0.8727
774 MSE 0.8727
775 5XB 0.8727
776 2HO 0.8726
777 A09 0.8724
778 JZ1 0.8724
779 4AP 0.8724
780 NCM 0.8723
781 JLZ 0.8723
782 RUJ 0.8722
783 3AL 0.8722
784 4HP 0.8722
785 2AP 0.8720
786 GVG 0.8720
787 RCO 0.8720
788 SYG 0.8719
789 OHP 0.8716
790 MMU 0.8713
791 RIB 0.8711
792 QSB 0.8711
793 JZ2 0.8711
794 H42 0.8711
795 MYJ 0.8710
796 8NY 0.8710
797 5HY 0.8708
798 SOR 0.8707
799 HRZ 0.8705
800 ET2 0.8704
801 H3M 0.8702
802 3HP 0.8700
803 261 0.8700
804 FA0 0.8700
805 R9S 0.8697
806 3CL 0.8697
807 CHB 0.8696
808 IHB 0.8695
809 DOB 0.8691
810 9PO 0.8691
811 BR9 0.8688
812 13D 0.8688
813 27Y 0.8687
814 BHA 0.8686
815 HQJ 0.8685
816 IWT 0.8683
817 HVK 0.8682
818 5OB 0.8680
819 285 0.8680
820 RUY 0.8678
821 GIF 0.8675
822 DAL 0.8675
823 RHU 0.8675
824 HX3 0.8671
825 L5V 0.8670
826 3Q7 0.8668
827 TLD 0.8667
828 FUF 0.8667
829 4M0 0.8667
830 MAH 0.8664
831 3CH 0.8657
832 LG3 0.8656
833 5CU 0.8655
834 4XX 0.8654
835 CYT 0.8651
836 C2A 0.8651
837 IUR 0.8650
838 8CL 0.8646
839 YHO 0.8646
840 R8A 0.8637
841 BZ3 0.8636
842 D2P 0.8635
843 RAT 0.8631
844 6TZ 0.8629
845 4JO 0.8626
846 DGJ 0.8624
847 5XC 0.8621
848 FBV 0.8620
849 HC4 0.8619
850 Y8I 0.8619
851 4DX 0.8618
852 TMT 0.8615
853 KYD 0.8609
854 E5X 0.8604
855 FB1 0.8603
856 1P8 0.8603
857 LGA 0.8600
858 3HA 0.8599
859 1LN 0.8597
860 PHE 0.8591
861 DBH 0.8589
862 OXL 0.8584
863 TTO 0.8582
864 ANN 0.8582
865 PYR 0.8579
866 2LP 0.8576
867 HX4 0.8572
868 0TR 0.8568
869 L99 0.8561
870 9EW 0.8549
871 JZ4 0.8547
872 NOY 0.8541
873 36Y 0.8540
874 3PF 0.8539
875 ETF 0.8533
876 G4D 0.8507
Similar Binding Sites (Proteins are less than 50% similar to leader)
Pocket No.: 1; Query (leader) PDB : 1XG4; Ligand: ICT; Similar sites found with APoc: No similar binding sites found, or similarity not calculated due to duplicate pocket.
This union binding pocket(no: 1) in the query (biounit: 1xg4.bio1) has 21 residues
No: Leader PDB Ligand Sequence Similarity
Pocket No.: 2; Query (leader) PDB : 1XG4; Ligand: ICT; 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: 1xg4.bio1) has 21 residues
No: Leader PDB Ligand Sequence Similarity
Pocket No.: 3; Query (leader) PDB : 1XG4; Ligand: ICT; 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: 1xg4.bio1) has 21 residues
No: Leader PDB Ligand Sequence Similarity
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