Receptor
PDB id Resolution Class Description Source Keywords
5JBX 1.1 Å EC: 4.2.1.55 CRYSTAL STRUCTURE OF LIUC IN COMPLEX WITH COENZYME A AND MAL MYXOCOCCUS XANTHUS (STRAIN DK 1622) DEHYDRATASE ISOVALERATE MYXOCOCCUS XANTHUS LYASE
Ref.: THE STRUCTURE OF LIUC, A 3-HYDROXY-3-METHYLGLUTACON DEHYDRATASE INVOLVED IN ISOVALERYL-COA BIOSYNTHESIS MYXOCOCCUS XANTHUS, REVEALS INSIGHTS INTO SPECIFICI CATALYSIS. CHEMBIOCHEM V. 17 1658 2016
Ligand
Ligand Chain:Residue Validity Ligand Warnings Binding Data NGL Viewer Molecular Weight (Da) Formula SMILES
COA B:301;
A:301;
Valid;
Valid;
none;
none;
submit data
767.534 C21 H36 N7 O16 P3 S CC(C)...
MLI A:302;
B:303;
B:302;
B:304;
Valid;
Invalid;
Valid;
Invalid;
none;
none;
Atoms found MORE than expected: % Diff = 2;
none;
submit data
102.046 C3 H2 O4 C(C(=...
View in 3D viewer
90% Homology Family
Leader
PDB id Resolution Class Description Source Keywords
5JBX 1.1 Å EC: 4.2.1.55 CRYSTAL STRUCTURE OF LIUC IN COMPLEX WITH COENZYME A AND MAL MYXOCOCCUS XANTHUS (STRAIN DK 1622) DEHYDRATASE ISOVALERATE MYXOCOCCUS XANTHUS LYASE
Ref.: THE STRUCTURE OF LIUC, A 3-HYDROXY-3-METHYLGLUTACON DEHYDRATASE INVOLVED IN ISOVALERYL-COA BIOSYNTHESIS MYXOCOCCUS XANTHUS, REVEALS INSIGHTS INTO SPECIFICI CATALYSIS. CHEMBIOCHEM V. 17 1658 2016
Members (1)
No: PDB id Binding Data Representative ligand Formula Smiles
The Class containing this family consists of a total of 1 families.
1 5JBX - MLI C3 H2 O4 C(C(=O)[O-....
70% Homology Family (1)
No: PDB id Binding Data Representative ligand Formula Smiles
The Class containing this family consists of a total of 1 families.
1 5JBX - MLI C3 H2 O4 C(C(=O)[O-....
50% Homology Family (13)
No: PDB id Binding Data Representative ligand Formula Smiles
The Class containing this family consists of a total of 4 families.
1 1DUB Ki = 1.6 uM CAA C25 H40 N7 O18 P3 S CC(=O)CC(=....
2 1EY3 - DAK C32 H47 N8 O17 P3 S CC(C)(CO[P....
3 1MJ3 - HXC C27 H46 N7 O17 P3 S CCCCCC(=O)....
4 2DUB - CO8 C29 H50 N7 O17 P3 S CCCCCCCC(=....
5 6N95 Ki = 7.5 uM YXR C24 H40 N7 O20 P3 S2 C[C@H](C(=....
6 6N96 Ki = 3.8 uM SO5 C24 H40 N7 O21 P3 S C[C@H](C(=....
7 6N92 Ki = 10.8 uM KFV C24 H38 N8 O19 P3 S CC(=[N+]([....
8 6N97 Ki = 7.1 uM KGP C24 H41 N8 O20 P3 S C[C@H](C(=....
9 6N94 Ki = 19.8 uM KGJ C24 H39 N9 O19 P3 CC(=[N+]([....
10 7BOR - COA C21 H36 N7 O16 P3 S CC(C)(CO[P....
11 5ZAI - COA C21 H36 N7 O16 P3 S CC(C)(CO[P....
12 5DTW Kd = 3.5 uM 5F9 C41 H74 N7 O17 P3 S CCCCCCCCCC....
13 5JBX - MLI C3 H2 O4 C(C(=O)[O-....
Polypharmacology
Similar Ligands (2D)
Ligand no: 1; Ligand: COA; Similar ligands found: 243
No: Ligand ECFP6 Tc MDL keys Tc
1 COA 1 1
2 0T1 0.894737 0.976744
3 DCA 0.893805 0.954023
4 COS 0.887931 0.977012
5 ETB 0.877193 0.920455
6 30N 0.871795 0.913979
7 CAO 0.871795 0.965909
8 AMX 0.871795 0.988235
9 SCO 0.864407 0.976744
10 CMX 0.864407 0.976744
11 ACO 0.857143 0.965909
12 FCX 0.857143 0.94382
13 FAM 0.857143 0.954545
14 HAX 0.85 0.954545
15 FYN 0.842975 1
16 3KK 0.842975 0.977012
17 OXK 0.836066 0.977012
18 KGP 0.836066 0.885417
19 SOP 0.836066 0.977012
20 YZS 0.836066 0.885417
21 COK 0.836066 0.977012
22 MCD 0.836066 0.954545
23 CA6 0.836066 0.885417
24 1VU 0.829268 0.965909
25 CMC 0.829268 0.977012
26 CO6 0.829268 0.977012
27 NMX 0.829268 0.903226
28 CAJ 0.822581 0.954545
29 2MC 0.822581 0.934066
30 SCD 0.822581 0.976744
31 2CP 0.81746 0.965909
32 3HC 0.816 0.988372
33 KGJ 0.816 0.893617
34 A1S 0.816 0.977012
35 MLC 0.816 0.977012
36 BCO 0.816 0.977012
37 IVC 0.816 0.988372
38 1HE 0.816 0.955056
39 COD 0.810345 0.988235
40 CAA 0.809524 0.988372
41 MCA 0.809524 0.965909
42 SO5 0.809524 0.876289
43 YE1 0.809524 0.965517
44 COO 0.809524 0.977012
45 LCV 0.809524 0.876289
46 YXS 0.80315 0.885417
47 MC4 0.80315 0.923913
48 YXR 0.80315 0.885417
49 SCA 0.80315 0.977012
50 KGA 0.796875 0.884211
51 HGG 0.796875 0.977012
52 BYC 0.796875 0.977012
53 3CP 0.796875 0.977012
54 COW 0.796875 0.965909
55 CA8 0.796875 0.885417
56 1GZ 0.796875 0.965909
57 KFV 0.796875 0.894737
58 IRC 0.796875 0.988372
59 COF 0.796875 0.955056
60 2KQ 0.796875 0.955056
61 4CA 0.790698 0.965909
62 FAQ 0.790698 0.977012
63 BCA 0.790698 0.965909
64 HXC 0.784615 0.955056
65 GRA 0.784615 0.977012
66 1CV 0.781955 0.977012
67 TGC 0.778626 0.965909
68 1CZ 0.772727 0.965909
69 S0N 0.772727 0.954545
70 CO8 0.772727 0.955056
71 2NE 0.772727 0.955056
72 CIC 0.772727 0.977012
73 MYA 0.766917 0.955056
74 0FQ 0.766917 0.977012
75 DCC 0.766917 0.955056
76 5F9 0.766917 0.955056
77 UCC 0.766917 0.955056
78 MFK 0.766917 0.955056
79 ST9 0.766917 0.955056
80 4CO 0.766917 0.965909
81 01A 0.761194 0.934066
82 0ET 0.761194 0.955056
83 CS8 0.755556 0.944444
84 WCA 0.755556 0.955056
85 NHW 0.75 0.955056
86 HDC 0.75 0.955056
87 NHM 0.75 0.955056
88 4KX 0.75 0.944444
89 UOQ 0.75 0.955056
90 HFQ 0.744526 0.955056
91 MRS 0.744526 0.955056
92 MRR 0.744526 0.955056
93 J5H 0.73913 0.977012
94 YNC 0.73913 0.965909
95 DAK 0.73913 0.944444
96 COA FLC 0.736 0.965116
97 8Z2 0.733813 0.944444
98 NHQ 0.723404 0.988372
99 F8G 0.715278 0.913979
100 1HA 0.713287 0.955056
101 01K 0.708333 0.977012
102 COT 0.703448 0.977012
103 CCQ 0.695652 0.934066
104 CA3 0.693878 0.977012
105 7L1 0.692308 0.965909
106 RMW 0.682119 0.955056
107 CA5 0.671053 0.934066
108 93P 0.666667 0.965909
109 UCA 0.666667 0.955056
110 CO7 0.664234 0.977012
111 N9V 0.647887 0.922222
112 93M 0.64557 0.965909
113 OXT 0.634146 0.913979
114 4BN 0.607143 0.913979
115 5TW 0.607143 0.913979
116 BUA COA 0.605634 0.943182
117 PAP 0.603604 0.811765
118 JBT 0.598837 0.894737
119 BSJ 0.592814 0.944444
120 6NA COA 0.585034 0.922222
121 HMG 0.581081 0.943182
122 MYR COA 0.573333 0.922222
123 EO3 COA 0.573333 0.922222
124 DAO COA 0.573333 0.922222
125 DCR COA 0.573333 0.922222
126 X90 COA 0.573333 0.922222
127 DKA COA 0.573333 0.922222
128 PLM COA 0.573333 0.922222
129 A3P 0.54955 0.8
130 PPS 0.547009 0.752688
131 ASP ASP ASP ILE NH2 CMC 0.536585 0.932584
132 0WD 0.521739 0.788889
133 SFC 0.490683 0.955056
134 RFC 0.490683 0.955056
135 ACE SER ASP ALY THR NH2 COA 0.483333 0.932584
136 3AM 0.482143 0.788235
137 PTJ 0.48062 0.872093
138 MET VAL ASN ALA CMC 0.480447 0.932584
139 4PS 0.477477 0.682353
140 5AD NJS 0.47619 0.913043
141 A22 0.468254 0.813953
142 A2D 0.465517 0.802326
143 PUA 0.462585 0.820225
144 PAJ 0.460938 0.883721
145 HQG 0.460317 0.813953
146 ATR 0.459016 0.8
147 AGS 0.459016 0.806818
148 3OD 0.458015 0.825581
149 ADP 0.453782 0.823529
150 9BG 0.451389 0.788889
151 A2R 0.448819 0.813953
152 8LE 0.448 0.848837
153 ACE MET LEU GLY PRO NH2 COA 0.447917 0.932584
154 UBG 0.447853 0.844444
155 BA3 0.445378 0.802326
156 OAD 0.442748 0.825581
157 NA7 0.442748 0.858824
158 ATP 0.442623 0.823529
159 HEJ 0.442623 0.823529
160 AP5 0.441667 0.802326
161 B4P 0.441667 0.802326
162 5FA 0.439024 0.823529
163 2A5 0.439024 0.847059
164 APR 0.439024 0.802326
165 AR6 0.439024 0.802326
166 AQP 0.439024 0.823529
167 AT4 0.438017 0.816092
168 AN2 0.438017 0.813953
169 48N 0.435714 0.808989
170 JNT 0.435115 0.847059
171 M33 0.434426 0.813953
172 QA7 0.434109 0.848837
173 8LQ 0.434109 0.837209
174 9X8 0.431818 0.806818
175 SRP 0.429688 0.837209
176 ANP 0.428571 0.804598
177 ADQ 0.427481 0.804598
178 YLB 0.426573 0.908046
179 YLP 0.425532 0.886364
180 5AL 0.425197 0.813953
181 7D3 0.425 0.793103
182 AD9 0.424 0.804598
183 APU 0.423611 0.786517
184 CA0 0.422764 0.804598
185 7D4 0.422764 0.793103
186 25L 0.422222 0.813953
187 ATF 0.421875 0.795455
188 F2R 0.421769 0.865169
189 NJP 0.421769 0.806818
190 A2P 0.421488 0.788235
191 8QN 0.419847 0.813953
192 PNS 0.419643 0.682353
193 ACP 0.419355 0.825581
194 KG4 0.419355 0.804598
195 8LH 0.418605 0.837209
196 J4G 0.41791 0.848837
197 NDP 0.417808 0.788889
198 ACQ 0.417323 0.825581
199 A1R 0.416667 0.882353
200 ATP A 0.416058 0.770115
201 ATP A A A 0.416058 0.770115
202 AMP 0.415254 0.8
203 A 0.415254 0.8
204 1ZZ 0.414815 0.842697
205 TXA 0.414815 0.816092
206 FYA 0.414815 0.813953
207 NB8 0.414815 0.808989
208 00A 0.413534 0.758242
209 DLL 0.413534 0.793103
210 AHX 0.413534 0.829545
211 PAX 0.412903 0.793478
212 DQV 0.411348 0.813953
213 OMR 0.409722 0.853933
214 9ZD 0.409091 0.818182
215 25A 0.409091 0.802326
216 9ZA 0.409091 0.818182
217 OOB 0.409091 0.793103
218 NPW 0.408163 0.822222
219 6YZ 0.407692 0.825581
220 WAQ 0.407407 0.860465
221 TAT 0.40625 0.816092
222 T99 0.40625 0.816092
223 4AD 0.406015 0.827586
224 AMO 0.406015 0.837209
225 A3R 0.406015 0.882353
226 B5Y 0.405797 0.786517
227 FA5 0.405797 0.816092
228 KMQ 0.405797 0.795455
229 TXP 0.405405 0.829545
230 45A 0.404959 0.781609
231 ABM 0.404959 0.781609
232 PRX 0.404762 0.825581
233 ME8 0.404412 0.842697
234 BIS 0.404412 0.818182
235 AFH 0.404255 0.78022
236 J7V 0.403846 0.778947
237 LQJ 0.402878 0.781609
238 NAI 0.402778 0.777778
239 ODP 0.402685 0.78022
240 DAL AMP 0.401515 0.793103
241 SRA 0.4 0.784091
242 ADX 0.4 0.752688
243 AU1 0.4 0.804598
Ligand no: 2; Ligand: MLI; Similar ligands found: 3
No: Ligand ECFP6 Tc MDL keys Tc
1 MLI 1 1
2 OAA 0.5 0.666667
3 OXL 0.416667 0.642857
Similar Ligands (3D)
Ligand no: 1; Ligand: COA; Similar ligands found: 0
No: Ligand Similarity coefficient
Ligand no: 2; Ligand: MLI; Similar ligands found: 764
No: Ligand Similarity coefficient
1 P2D 1.0000
2 IFM 1.0000
3 JZ3 1.0000
4 ASP 1.0000
5 LMR 1.0000
6 C5J 1.0000
7 AAE 1.0000
8 3HR 1.0000
9 MLM 1.0000
10 DMG 1.0000
11 3HL 1.0000
12 IVA 1.0000
13 MLA 1.0000
14 HV2 0.9880
15 IPU 0.9844
16 DTL 0.9843
17 PRO 0.9822
18 CEJ 0.9811
19 CHT 0.9786
20 ALO 0.9774
21 KG7 0.9766
22 273 0.9763
23 24T 0.9763
24 NMG 0.9756
25 TFB 0.9748
26 MAK 0.9745
27 IQ0 0.9737
28 2PC 0.9736
29 3PY 0.9735
30 BUQ 0.9733
31 KIV 0.9731
32 BU4 0.9729
33 AKB 0.9727
34 PYC 0.9727
35 HYN 0.9719
36 VAL 0.9711
37 E60 0.9709
38 HDA 0.9706
39 MAE 0.9706
40 LEA 0.9698
41 BUA 0.9697
42 2HE 0.9694
43 THR 0.9694
44 DPR 0.9690
45 ABU 0.9686
46 4MV 0.9680
47 BAL 0.9679
48 BVC 0.9676
49 SAR 0.9675
50 SHF 0.9672
51 RP7 0.9672
52 SSN 0.9671
53 MZ0 0.9668
54 JBN 0.9666
55 CYH 0.9665
56 CXL 0.9665
57 25T 0.9665
58 FOA 0.9665
59 SIN 0.9663
60 FUM 0.9663
61 HAI 0.9651
62 AOA 0.9645
63 LAC 0.9642
64 SER 0.9641
65 OXD 0.9641
66 EGD 0.9638
67 1AC 0.9634
68 192 0.9630
69 3OH 0.9619
70 S0H 0.9613
71 IPH 0.9613
72 4JU 0.9611
73 IHG 0.9604
74 XIX 0.9602
75 DSN 0.9599
76 284 0.9596
77 TP5 0.9594
78 BMD 0.9589
79 2KT 0.9588
80 PRS 0.9586
81 CP 0.9585
82 T2C 0.9585
83 BUB 0.9581
84 FJO 0.9579
85 MPD 0.9578
86 DGY 0.9577
87 DXX 0.9576
88 ABA 0.9572
89 265 0.9570
90 HX2 0.9570
91 TZC 0.9561
92 MTG 0.9560
93 NVI 0.9560
94 URA 0.9558
95 HPY 0.9552
96 C21 0.9552
97 HVQ 0.9551
98 282 0.9551
99 L60 0.9550
100 PAE 0.9547
101 03W 0.9546
102 LER 0.9545
103 J1Z 0.9542
104 V1L 0.9542
105 RCO 0.9540
106 MSF 0.9540
107 ALA 0.9539
108 JAB 0.9538
109 A2Q 0.9536
110 POA 0.9536
111 XPO 0.9534
112 CRS 0.9533
113 PG3 0.9531
114 BVG 0.9522
115 1DH 0.9521
116 BAE 0.9518
117 3CH 0.9518
118 2IM 0.9517
119 DUC 0.9514
120 8X3 0.9514
121 SAT 0.9514
122 SMV 0.9513
123 1KA 0.9511
124 H95 0.9510
125 2OP 0.9509
126 GOL 0.9507
127 AMC 0.9506
128 DCL 0.9501
129 23W 0.9501
130 P7I 0.9500
131 HIU 0.9497
132 TB6 0.9495
133 PCT 0.9493
134 IDH 0.9490
135 ITU 0.9489
136 PRI 0.9488
137 7EX 0.9486
138 1MR 0.9485
139 OXM 0.9484
140 69O 0.9484
141 CYT 0.9480
142 HUI 0.9478
143 PPF 0.9477
144 SYN 0.9473
145 BXO 0.9472
146 JZ5 0.9472
147 93B 0.9472
148 1DU 0.9471
149 DTT 0.9470
150 HBS 0.9469
151 2EZ 0.9469
152 C2N 0.9468
153 TAU 0.9466
154 XAP 0.9462
155 26D 0.9462
156 LG3 0.9461
157 ALQ 0.9457
158 H3M 0.9457
159 BVF 0.9457
160 7VD 0.9454
161 LG5 0.9453
162 CYS 0.9448
163 MRY 0.9445
164 2MH 0.9443
165 HBR 0.9441
166 GXE 0.9440
167 OHG 0.9438
168 4HA 0.9438
169 9PO 0.9436
170 PYM 0.9435
171 3BB 0.9433
172 8GF 0.9432
173 NAK 0.9432
174 DAL 0.9432
175 ETX 0.9431
176 PYR 0.9429
177 SMB 0.9426
178 MBN 0.9425
179 ATQ 0.9420
180 ECE 0.9417
181 PLQ 0.9415
182 FW5 0.9414
183 DCY 0.9414
184 SLP 0.9410
185 GXV 0.9409
186 4AP 0.9408
187 HSE 0.9406
188 BTL 0.9404
189 HRZ 0.9403
190 6SP 0.9402
191 3AP 0.9401
192 BAQ 0.9401
193 A3B 0.9400
194 1CB 0.9400
195 HVK 0.9395
196 MZW 0.9394
197 DE2 0.9394
198 HGY 0.9393
199 AC5 0.9391
200 HGQ 0.9390
201 FCN 0.9389
202 HQE 0.9385
203 GBL 0.9385
204 2RA 0.9384
205 WOT 0.9383
206 THE 0.9382
207 FPI 0.9382
208 2AP 0.9381
209 39J 0.9380
210 HBX 0.9379
211 CIG 0.9378
212 FBJ 0.9377
213 ABN 0.9377
214 M3T 0.9375
215 RSF 0.9374
216 B3R 0.9373
217 DBB 0.9371
218 ILE 0.9368
219 40O 0.9368
220 4H2 0.9367
221 3ZQ 0.9362
222 FPN 0.9360
223 9X7 0.9358
224 HSM 0.9351
225 APY 0.9348
226 9YL 0.9345
227 HEW 0.9343
228 PY7 0.9343
229 TAY 0.9342
230 HYP 0.9337
231 NIS 0.9337
232 A8C 0.9335
233 M6W 0.9333
234 MB3 0.9332
235 LGA 0.9331
236 DA1 0.9330
237 PCR 0.9329
238 PE9 0.9329
239 HCS 0.9329
240 VX 0.9328
241 UY7 0.9327
242 PXY 0.9323
243 PYF 0.9321
244 8CL 0.9321
245 NBE 0.9314
246 TMT 0.9312
247 1DQ 0.9310
248 DAB 0.9307
249 5AC 0.9300
250 LG4 0.9300
251 OXQ 0.9299
252 ODV 0.9297
253 1SP 0.9296
254 FLA 0.9296
255 285 0.9295
256 ETF 0.9295
257 GAG 0.9295
258 HZP 0.9294
259 PCA 0.9292
260 PUT 0.9291
261 GBD 0.9289
262 UYA 0.9286
263 3MT 0.9285
264 NVA 0.9284
265 IDM 0.9280
266 PYJ 0.9279
267 QFH 0.9278
268 COM 0.9277
269 DEN 0.9277
270 25R 0.9276
271 ETM 0.9276
272 BUO 0.9275
273 ICC 0.9273
274 BP9 0.9270
275 XYS 0.9269
276 CAQ 0.9269
277 OPE 0.9268
278 VAH 0.9264
279 YCP 0.9264
280 YHO 0.9263
281 AMT 0.9263
282 HHQ 0.9261
283 IZC 0.9260
284 SGL 0.9258
285 4CH 0.9257
286 MCT 0.9256
287 ISU 0.9252
288 WTZ 0.9251
289 BML 0.9250
290 TMZ 0.9250
291 9CL 0.9249
292 BZF 0.9249
293 GLY ALA 0.9247
294 OXE 0.9246
295 0R1 0.9245
296 IND 0.9243
297 URF 0.9243
298 TH0 0.9243
299 3GR 0.9242
300 LZ1 0.9240
301 PGA 0.9240
302 60P 0.9238
303 4JP 0.9238
304 AML 0.9237
305 BEN 0.9236
306 GVH 0.9236
307 BZI 0.9235
308 JZ7 0.9234
309 MPI 0.9234
310 0CT 0.9233
311 BEZ 0.9232
312 L89 0.9232
313 R2B 0.9232
314 HY3 0.9228
315 MTD 0.9226
316 MEU 0.9225
317 6PC 0.9225
318 B24 0.9224
319 2HA 0.9223
320 TTO 0.9222
321 FPY 0.9218
322 1AB 0.9216
323 JZ9 0.9216
324 NIO 0.9215
325 MZY 0.9214
326 EDG 0.9214
327 HHN 0.9211
328 LDU 0.9211
329 23B 0.9211
330 HTX 0.9211
331 XYP 0.9210
332 TZL 0.9209
333 ZBT 0.9209
334 BAM 0.9208
335 NBN 0.9205
336 XBT 0.9204
337 DSS 0.9202
338 4HS 0.9202
339 CMS 0.9201
340 2CH 0.9200
341 NCA 0.9199
342 280 0.9198
343 3TR 0.9198
344 54D 0.9198
345 NTN 0.9196
346 NBZ 0.9196
347 8LG 0.9195
348 1AN 0.9193
349 TDR 0.9191
350 SS2 0.9190
351 5Y9 0.9190
352 4JN 0.9189
353 QSC 0.9189
354 NXA 0.9189
355 3SS 0.9188
356 LLQ 0.9187
357 BEW 0.9187
358 CRN 0.9186
359 3ZS 0.9183
360 A20 0.9183
361 MLT 0.9182
362 9SB 0.9182
363 5MP 0.9182
364 MR3 0.9181
365 2MZ 0.9180
366 TFS 0.9177
367 1PT 0.9171
368 OK7 0.9170
369 MWM 0.9167
370 4HO 0.9165
371 4MZ 0.9164
372 TEO 0.9164
373 TF4 0.9162
374 WBU 0.9160
375 1MZ 0.9159
376 PZA 0.9158
377 FP2 0.9156
378 HOW 0.9155
379 GG6 0.9152
380 ITN 0.9151
381 KSW 0.9148
382 HTS 0.9147
383 NCM 0.9147
384 PIS 0.9147
385 2AI 0.9145
386 2AF 0.9145
387 4XX 0.9145
388 XRG 0.9143
389 275 0.9143
390 13D 0.9143
391 EFS 0.9141
392 JZ0 0.9141
393 XBZ 0.9141
394 FMS 0.9138
395 92Z 0.9135
396 MRZ 0.9135
397 DTI 0.9134
398 93Q 0.9132
399 IOM 0.9130
400 MMU 0.9130
401 5UC 0.9127
402 UNU 0.9127
403 40E 0.9127
404 2YU 0.9125
405 76X 0.9123
406 4ZE 0.9123
407 DTU 0.9122
408 4DX 0.9118
409 CSS 0.9117
410 2AC 0.9117
411 AHR 0.9115
412 VGL 0.9113
413 PIH 0.9112
414 PPV 0.9109
415 JZ6 0.9108
416 HLT 0.9107
417 PAH 0.9106
418 2MP 0.9103
419 C2A 0.9103
420 SPA 0.9103
421 14J 0.9099
422 NK 0.9099
423 ICP 0.9098
424 PYD 0.9098
425 CIZ 0.9093
426 SS1 0.9091
427 9A4 0.9090
428 34A 0.9089
429 IOL 0.9088
430 XYD 0.9087
431 MMZ 0.9087
432 HY1 0.9087
433 FQI 0.9086
434 7WG 0.9083
435 YAN 0.9083
436 2DR 0.9081
437 6X8 0.9079
438 5KX 0.9078
439 UGC 0.9076
440 MMQ 0.9076
441 TM7 0.9076
442 1MC 0.9075
443 CRD 0.9075
444 51F 0.9075
445 ASN 0.9075
446 HGW 0.9074
447 AC0 0.9073
448 4CL 0.9073
449 M58 0.9070
450 R8A 0.9070
451 9TY 0.9070
452 COI 0.9069
453 278 0.9069
454 RB5 0.9066
455 XYL 0.9066
456 HSL 0.9065
457 IUR 0.9065
458 IT2 0.9062
459 JYD 0.9061
460 HE2 0.9060
461 D2P 0.9058
462 43M 0.9057
463 4AX 0.9056
464 HT4 0.9054
465 4JJ 0.9054
466 DAS 0.9052
467 938 0.9050
468 PBC 0.9049
469 9A7 0.9049
470 POP 0.9047
471 47J 0.9045
472 JZ1 0.9040
473 3MC 0.9039
474 3CL 0.9037
475 A1U 0.9037
476 HBA 0.9037
477 TAR 0.9036
478 286 0.9036
479 JZ2 0.9033
480 BNS 0.9032
481 BYZ 0.9028
482 TZE 0.9027
483 5MH 0.9022
484 PAF 0.9018
485 R1X 0.9016
486 PYG 0.9015
487 27Y 0.9014
488 LXC 0.9014
489 XUL 0.9011
490 BR9 0.9011
491 XLS 0.9007
492 2RH 0.9006
493 RBL 0.9004
494 IMR 0.9002
495 PXO 0.9000
496 RSO 0.8999
497 4JL 0.8998
498 L3Q 0.8996
499 MWJ 0.8993
500 5JC 0.8991
501 4JO 0.8990
502 2K4 0.8990
503 ES3 0.8986
504 BZX 0.8982
505 DMV 0.8981
506 1XX 0.8978
507 FBA 0.8978
508 GLV 0.8978
509 GMN 0.8977
510 FFP 0.8975
511 3FA 0.8974
512 FLM 0.8973
513 5H1 0.8971
514 AKR 0.8968
515 ICN 0.8967
516 5MB 0.8966
517 2C9 0.8964
518 KPL 0.8962
519 Z6J 0.8961
520 5MI 0.8961
521 LEU 0.8961
522 6AI 0.8960
523 DMI 0.8957
524 14O 0.8956
525 4VP 0.8956
526 MBD 0.8955
527 2MY 0.8955
528 RIB 0.8955
529 2PN 0.8954
530 GLY 0.8952
531 MZG 0.8950
532 F60 0.8947
533 RUU 0.8946
534 4SD 0.8945
535 0R0 0.8945
536 F3V 0.8944
537 ES9 0.8944
538 3MH 0.8944
539 GOA 0.8942
540 QOS 0.8942
541 EHM 0.8942
542 HYA 0.8941
543 0TR 0.8941
544 7CZ 0.8941
545 AGK 0.8936
546 ISZ 0.8935
547 PYZ 0.8930
548 6M4 0.8929
549 DYA 0.8928
550 VSO 0.8927
551 FK1 0.8926
552 HIO 0.8925
553 FAH 0.8923
554 11S 0.8920
555 GIF 0.8919
556 NHY 0.8918
557 HAE 0.8915
558 PPI 0.8911
559 TLA 0.8909
560 ARB 0.8908
561 H4N 0.8907
562 1DV 0.8905
563 HLR 0.8903
564 O7U 0.8902
565 3CE 0.8902
566 6MH 0.8899
567 FUC 0.8898
568 M2H 0.8898
569 PKU 0.8898
570 FAN 0.8897
571 NIE 0.8895
572 HSW 0.8891
573 AGU 0.8890
574 9EW 0.8889
575 TLD 0.8888
576 HVB 0.8886
577 NMU 0.8885
578 TAN 0.8882
579 OXZ 0.8882
580 98J 0.8880
581 2CM 0.8877
582 PHB 0.8876
583 2CO 0.8874
584 RIP 0.8874
585 GLU 0.8869
586 Y8I 0.8869
587 MGX 0.8868
588 URP 0.8868
589 34V 0.8867
590 CNH 0.8867
591 FUL 0.8866
592 F05 0.8864
593 8NY 0.8860
594 0RW 0.8860
595 JAE 0.8855
596 0MK 0.8854
597 DFU 0.8853
598 PEL 0.8851
599 SVN 0.8848
600 CXF 0.8844
601 J3K 0.8841
602 XM0 0.8841
603 AZF 0.8839
604 1DW 0.8839
605 AX7 0.8838
606 270 0.8838
607 SRT 0.8838
608 64K 0.8836
609 TB0 0.8835
610 C2B 0.8834
611 4CS 0.8830
612 6M9 0.8828
613 FEH 0.8826
614 ORN 0.8824
615 3Q7 0.8824
616 GLY CYS 0.8823
617 CFI 0.8817
618 PBE 0.8817
619 2MI 0.8816
620 PEA 0.8815
621 P92 0.8815
622 NPO 0.8812
623 KOJ 0.8812
624 F50 0.8812
625 DUB 0.8809
626 SNE 0.8808
627 ADE 0.8808
628 MET 0.8808
629 4JM 0.8804
630 FCA 0.8803
631 B20 0.8796
632 271 0.8794
633 ARA 0.8790
634 PM6 0.8789
635 13P 0.8788
636 MXN 0.8787
637 PZI 0.8786
638 QUZ 0.8784
639 DFB 0.8782
640 GLY GLY 0.8781
641 2A1 0.8778
642 2XX 0.8777
643 2CK 0.8776
644 9X6 0.8775
645 FUF 0.8775
646 BHO 0.8775
647 R8S 0.8774
648 2A3 0.8774
649 TSZ 0.8772
650 SAL 0.8771
651 TMH 0.8770
652 NIZ 0.8767
653 ABV 0.8766
654 F9P 0.8766
655 61G 0.8763
656 BNZ 0.8762
657 TNE 0.8761
658 R3W 0.8758
659 4XR 0.8756
660 FSG 0.8755
661 2AS 0.8755
662 CEE 0.8753
663 7N0 0.8752
664 0PY 0.8751
665 10L 0.8751
666 BP1 0.8751
667 AHB 0.8750
668 GUA 0.8748
669 717 0.8747
670 PAV 0.8747
671 ABE 0.8747
672 ES4 0.8743
673 3V4 0.8742
674 HPA 0.8738
675 PHZ 0.8738
676 G3P 0.8737
677 ATO 0.8736
678 3SL 0.8736
679 SPV 0.8735
680 2CQ 0.8734
681 3U4 0.8734
682 ICF 0.8733
683 GLL 0.8732
684 7WA 0.8732
685 URQ 0.8730
686 JBE 0.8729
687 PTO 0.8728
688 NPY 0.8725
689 MUC 0.8723
690 BXA 0.8718
691 23A 0.8717
692 P1R 0.8717
693 3XX 0.8714
694 PMB 0.8714
695 FBM 0.8710
696 YTB 0.8706
697 MDN 0.8705
698 1WD 0.8705
699 24B 0.8704
700 Z82 0.8702
701 NMJ 0.8702
702 4SV 0.8698
703 6MP 0.8697
704 GAB 0.8697
705 MNN 0.8694
706 150 0.8694
707 HMH 0.8693
708 3OC 0.8692
709 1DJ 0.8688
710 ZZT 0.8685
711 13X 0.8684
712 BE2 0.8682
713 FUB 0.8682
714 JKE 0.8681
715 2ZX 0.8680
716 3HB 0.8677
717 94N 0.8673
718 1BP 0.8672
719 5ZE 0.8671
720 TM4 0.8670
721 3Z7 0.8670
722 7WV 0.8669
723 3SK 0.8669
724 AX2 0.8668
725 45C 0.8668
726 FYU 0.8667
727 7HP 0.8667
728 ES6 0.8666
729 4ZC 0.8661
730 PEP 0.8658
731 H8N 0.8655
732 3AY 0.8655
733 3NT 0.8653
734 SEJ 0.8652
735 6UA 0.8646
736 5HN 0.8646
737 8GC 0.8644
738 WDL 0.8642
739 9HX 0.8639
740 3AB 0.8636
741 DQY 0.8634
742 6HQ 0.8632
743 PAB 0.8630
744 TH7 0.8629
745 BRP 0.8620
746 HIS 0.8619
747 FB2 0.8614
748 VNJ 0.8607
749 8H8 0.8605
750 KYD 0.8604
751 1P3 0.8602
752 ACH 0.8597
753 PBZ 0.8593
754 OVV 0.8589
755 DCD 0.8588
756 53C 0.8582
757 HBD 0.8581
758 1Y6 0.8576
759 ERH 0.8559
760 CP2 0.8557
761 P72 0.8552
762 WCE 0.8550
763 4MA 0.8550
764 TPA 0.8529
Similar Binding Sites (Proteins are less than 50% similar to leader)
Pocket No.: 1; Query (leader) PDB : 5JBX; Ligand: MLI; 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: 5jbx.bio1) has 3 residues
No: Leader PDB Ligand Sequence Similarity
Pocket No.: 2; Query (leader) PDB : 5JBX; Ligand: MLI; 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: 5jbx.bio1) has 13 residues
No: Leader PDB Ligand Sequence Similarity
Pocket No.: 3; Query (leader) PDB : 5JBX; Ligand: COA; Similar sites found with APoc: 1
This union binding pocket(no: 3) in the query (biounit: 5jbx.bio1) has 20 residues
No: Leader PDB Ligand Sequence Similarity
1 2VSU ACO 47.5096
Pocket No.: 4; Query (leader) PDB : 5JBX; Ligand: COA; 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: 5jbx.bio1) has 21 residues
No: Leader PDB Ligand Sequence Similarity
Pocket No.: 5; Query (leader) PDB : 5JBX; Ligand: MLI; Similar sites found with APoc: No similar binding sites found, or similarity not calculated due to duplicate pocket.
This union binding pocket(no: 5) in the query (biounit: 5jbx.bio1) has 14 residues
No: Leader PDB Ligand Sequence Similarity
Pocket No.: 6; Query (leader) PDB : 5JBX; Ligand: MLI; Similar sites found with APoc: No similar binding sites found, or similarity not calculated due to duplicate pocket.
This union binding pocket(no: 6) in the query (biounit: 5jbx.bio1) has 1 residues
No: Leader PDB Ligand Sequence Similarity
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