Receptor
PDB id Resolution Class Description Source Keywords
1H17 1.75 Å EC: 2.3.1.54 PYRUVATE FORMATE-LYASE (E.COLI) IN COMPLEX WITH COA AND THE SUBSTRATE ANALOG OXAMATE ESCHERICHIA COLI LYASE GLYCYL RADICAL ENZYME TRANSFERASE ACYLTRANSFERASE ACETYLATION
Ref.: X-RAY STRUCTURE OF PYRUVATE FORMATE-LYASE IN COMPLEX WITH PYRUVATE AND COA.HOW THE ENZYME USES THE CYS-418 THIYL RADICAL FOR PYRUVATE CLEAVAGE J.BIOL.CHEM. V. 277 40036 2002
Ligand
Ligand Chain:Residue Validity Ligand Warnings Binding Data NGL Viewer Molecular Weight (Da) Formula SMILES
COA A:1000;
 Valid;
 none;
 submit data
767.534 C21 H36 N7 O16 P3 S CC(C)...
DTL A:9009;
A:9010;
 Valid;
Valid;
 none;
none;
 submit data
122.12 C4 H10 O4 C([C@...
MG A:9008;
 Invalid;
 none;
 submit data
24.305 Mg [Mg+2...
NA A:9001;
A:9002;
A:9003;
A:9004;
A:9005;
A:9006;
A:9007;
 Part of Protein;
Part of Protein;
Part of Protein;
Part of Protein;
Part of Protein;
Part of Protein;
Part of Protein;
 none;
none;
none;
none;
none;
none;
none;
 submit data
22.99 Na [Na+]
OXM A:1001;
 Valid;
 none;
 submit data
89.05 C2 H3 N O3 C(=O)...
PG4 A:9011;
A:9012;
A:9013;
 Invalid;
Invalid;
Invalid;
 none;
none;
none;
 submit data
194.226 C8 H18 O5 C(COC...
View in 3D viewer
90% Homology Family
Leader
PDB id Resolution Class Description Source Keywords
1H16 1.53 Å EC: 2.3.1.54 PYRUVATE FORMATE-LYASE (E.COLI) IN COMPLEX WITH PYRUVATE AND ESCHERICHIA COLI LYASE GLYCYL RADICAL ENZYME TRANSFERASE ACYLTRANSFERASE
Ref.: X-RAY STRUCTURE OF PYRUVATE FORMATE-LYASE IN COMPLE PYRUVATE AND COA.HOW THE ENZYME USES THE CYS-418 TH RADICAL FOR PYRUVATE CLEAVAGE J.BIOL.CHEM. V. 277 40036 2002
Members (3)
No: PDB id Binding Data Representative ligand Formula Smiles
The Class containing this family consists of a total of 1 families.
1 1H17 - DTL C4 H10 O4 C([C@@H]([....
2 1H18 - PYR C3 H4 O3 CC(=O)C(=O....
3 1H16 - DTL C4 H10 O4 C([C@@H]([....
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 1H17 - DTL C4 H10 O4 C([C@@H]([....
2 1H18 - PYR C3 H4 O3 CC(=O)C(=O....
3 1H16 - DTL C4 H10 O4 C([C@@H]([....
50% 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 1H17 - DTL C4 H10 O4 C([C@@H]([....
2 1H18 - PYR C3 H4 O3 CC(=O)C(=O....
3 1H16 - DTL C4 H10 O4 C([C@@H]([....
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: DTL; Similar ligands found: 8
No: Ligand ECFP6 Tc MDL keys Tc
1 DTL 1 1
2 MRY 1 1
3 03W 0.615385 0.791667
4 SOR 0.533333 0.954545
5 RB0 0.533333 0.913043
6 MTL 0.533333 0.954545
7 XYL 0.533333 0.913043
8 GOL 0.5 0.863636
Ligand no: 3; Ligand: OXM; Similar ligands found: 4
No: Ligand ECFP6 Tc MDL keys Tc
1 OXM 1 1
2 MLM 0.466667 0.607143
3 PYM 0.461538 0.636364
4 HGY 0.4 0.904762
Similar Ligands (3D)
Ligand no: 1; Ligand: COA; Similar ligands found: 0
No: Ligand Similarity coefficient
Ligand no: 2; Ligand: DTL; Similar ligands found: 850
No: Ligand Similarity coefficient
1 23W 1.0000
2 ILE 1.0000
3 LER 0.9943
4 DTT 0.9925
5 MLI 0.9843
6 KG7 0.9815
7 MLA 0.9807
8 2KT 0.9774
9 C5J 0.9756
10 FW5 0.9729
11 P2D 0.9686
12 AAE 0.9686
13 CAQ 0.9655
14 3PY 0.9643
15 CRS 0.9626
16 54D 0.9618
17 MLM 0.9615
18 ABA 0.9614
19 ODV 0.9610
20 SMB 0.9590
21 URA 0.9586
22 SER 0.9582
23 XRG 0.9573
24 JZ5 0.9570
25 HGQ 0.9565
26 SMV 0.9558
27 MZW 0.9557
28 RCO 0.9556
29 3HL 0.9555
30 3CH 0.9555
31 4H2 0.9553
32 TZZ 0.9548
33 26D 0.9534
34 BVF 0.9529
35 24T 0.9528
36 2PC 0.9524
37 IXW 0.9522
38 KSW 0.9504
39 M3T 0.9500
40 LG5 0.9498
41 HEW 0.9497
42 URF 0.9494
43 GLY ALA 0.9492
44 E60 0.9488
45 DXX 0.9487
46 CIG 0.9486
47 B3R 0.9480
48 MB3 0.9473
49 VAH 0.9473
50 CYS 0.9469
51 8GF 0.9468
52 4SD 0.9467
53 JBN 0.9467
54 3ZQ 0.9466
55 LG3 0.9466
56 1AC 0.9451
57 HIU 0.9450
58 39J 0.9443
59 BEW 0.9439
60 CYT 0.9437
61 WBU 0.9430
62 40O 0.9428
63 SSN 0.9428
64 DTU 0.9425
65 2YU 0.9425
66 DBB 0.9425
67 PYR 0.9416
68 CEJ 0.9415
69 5JC 0.9415
70 THE 0.9415
71 DE2 0.9411
72 TZC 0.9411
73 MMZ 0.9410
74 OXL 0.9409
75 1SP 0.9402
76 PRI 0.9398
77 HUI 0.9397
78 TP5 0.9396
79 M2H 0.9393
80 HT4 0.9392
81 DMG 0.9390
82 C2A 0.9383
83 M6W 0.9379
84 JAB 0.9374
85 1DW 0.9372
86 265 0.9370
87 TM7 0.9370
88 DGY 0.9370
89 HHQ 0.9365
90 4ZC 0.9364
91 MZG 0.9362
92 TZL 0.9357
93 ZBT 0.9357
94 25T 0.9357
95 OAA 0.9353
96 TH0 0.9349
97 THR 0.9348
98 2RA 0.9347
99 JZ3 0.9343
100 R2B 0.9342
101 PYC 0.9340
102 R8S 0.9340
103 KPL 0.9338
104 OXM 0.9338
105 DSN 0.9334
106 SGL 0.9333
107 HV2 0.9332
108 PYG 0.9332
109 MWM 0.9328
110 PKU 0.9327
111 4ZE 0.9321
112 OHG 0.9318
113 NCA 0.9318
114 9X7 0.9317
115 OXD 0.9316
116 SYN 0.9314
117 IHG 0.9312
118 CHT 0.9311
119 C2N 0.9310
120 COM 0.9310
121 2MP 0.9306
122 4HO 0.9305
123 XBT 0.9304
124 Y8I 0.9303
125 FPI 0.9300
126 RP7 0.9297
127 HBX 0.9296
128 284 0.9296
129 XBZ 0.9294
130 A3B 0.9292
131 FOA 0.9291
132 3XX 0.9290
133 HPY 0.9289
134 34A 0.9289
135 MWJ 0.9287
136 C21 0.9286
137 275 0.9286
138 HDA 0.9285
139 NVI 0.9284
140 LDU 0.9279
141 2AC 0.9279
142 IDH 0.9277
143 XYD 0.9276
144 IVA 0.9274
145 TLA 0.9273
146 IPH 0.9272
147 2OP 0.9271
148 0R0 0.9271
149 14J 0.9270
150 TB6 0.9270
151 TDR 0.9269
152 27Y 0.9269
153 NK 0.9268
154 A1U 0.9267
155 J1Z 0.9267
156 RIB 0.9267
157 TLD 0.9266
158 BEN 0.9263
159 R1X 0.9263
160 DCY 0.9262
161 9YL 0.9262
162 7WG 0.9261
163 MCT 0.9260
164 ASP 0.9260
165 PZA 0.9259
166 4JJ 0.9259
167 DAB 0.9259
168 BAM 0.9258
169 HSE 0.9257
170 NBZ 0.9257
171 LAC 0.9256
172 BAL 0.9255
173 280 0.9255
174 PRO 0.9252
175 49F 0.9251
176 BEZ 0.9251
177 ABN 0.9251
178 3Z7 0.9251
179 BVC 0.9250
180 4CL 0.9250
181 I2M 0.9250
182 282 0.9249
183 DUC 0.9249
184 UGC 0.9247
185 FLA 0.9246
186 NXA 0.9246
187 BR9 0.9246
188 JZ2 0.9246
189 273 0.9246
190 1DH 0.9245
191 DCD 0.9240
192 TAU 0.9240
193 5UC 0.9235
194 UYA 0.9235
195 QOS 0.9234
196 HYN 0.9233
197 43M 0.9232
198 ALA 0.9229
199 BAE 0.9229
200 PYD 0.9229
201 ICP 0.9229
202 PRS 0.9228
203 47J 0.9228
204 HYA 0.9226
205 BHO 0.9226
206 CP 0.9223
207 PCA 0.9223
208 NVA 0.9223
209 AHR 0.9221
210 PAF 0.9219
211 4VP 0.9219
212 1DU 0.9218
213 DAL 0.9217
214 BUA 0.9217
215 HSM 0.9215
216 NIO 0.9215
217 PYF 0.9214
218 MAE 0.9214
219 DPR 0.9211
220 3HB 0.9210
221 1MC 0.9209
222 ISZ 0.9208
223 HBA 0.9207
224 6UA 0.9206
225 AMC 0.9203
226 FCN 0.9201
227 PAE 0.9200
228 192 0.9199
229 HVQ 0.9198
230 3NT 0.9197
231 PPF 0.9197
232 YIV 0.9196
233 6M9 0.9194
234 2HE 0.9194
235 FBM 0.9188
236 HBS 0.9187
237 FQI 0.9186
238 HIO 0.9185
239 NCM 0.9185
240 UNU 0.9183
241 GAB 0.9183
242 CFI 0.9183
243 IMR 0.9183
244 1XX 0.9181
245 HPA 0.9181
246 LMR 0.9179
247 2MH 0.9179
248 BZX 0.9178
249 PY7 0.9178
250 XUL 0.9177
251 BP9 0.9177
252 IUR 0.9177
253 4CH 0.9177
254 ALQ 0.9176
255 6PC 0.9176
256 5MB 0.9175
257 MLT 0.9175
258 2IM 0.9175
259 5H1 0.9174
260 5MI 0.9172
261 ETM 0.9170
262 14O 0.9169
263 OVV 0.9169
264 P7I 0.9168
265 5MH 0.9167
266 PG0 0.9167
267 QDK 0.9167
268 NIZ 0.9165
269 VAL 0.9165
270 93B 0.9164
271 FAN 0.9163
272 TFB 0.9163
273 KIV 0.9162
274 8X3 0.9161
275 F60 0.9160
276 RSF 0.9158
277 F05 0.9157
278 BVG 0.9157
279 AOA 0.9156
280 AKB 0.9156
281 NAK 0.9155
282 DCL 0.9154
283 JAE 0.9154
284 O7U 0.9154
285 XLS 0.9153
286 ADE 0.9152
287 FEH 0.9152
288 PG3 0.9150
289 SAL 0.9150
290 PYJ 0.9148
291 1AB 0.9147
292 XIX 0.9146
293 HYP 0.9146
294 DMV 0.9146
295 H3M 0.9145
296 TAR 0.9143
297 11S 0.9143
298 6AI 0.9142
299 SIN 0.9142
300 ES9 0.9141
301 HCS 0.9141
302 2K4 0.9137
303 B24 0.9137
304 SAT 0.9135
305 4JU 0.9135
306 0RW 0.9133
307 HBR 0.9132
308 NBE 0.9132
309 285 0.9132
310 EDG 0.9131
311 BML 0.9131
312 MZ0 0.9131
313 HGY 0.9131
314 A2Q 0.9130
315 FBJ 0.9129
316 SKJ 0.9128
317 ECE 0.9126
318 IND 0.9124
319 3GR 0.9123
320 BTE 0.9122
321 DEN 0.9121
322 HE2 0.9120
323 I1E 0.9120
324 MSF 0.9118
325 GAG 0.9115
326 ARB 0.9115
327 IDM 0.9113
328 AHB 0.9113
329 QSC 0.9112
330 1MR 0.9112
331 BMD 0.9112
332 MAK 0.9109
333 8EZ 0.9108
334 VGL 0.9108
335 69O 0.9108
336 9EW 0.9107
337 3HR 0.9107
338 FPY 0.9107
339 AC5 0.9106
340 O8Y 0.9104
341 PBC 0.9104
342 4JO 0.9103
343 ALO 0.9102
344 DYA 0.9100
345 7VD 0.9099
346 EFS 0.9099
347 98J 0.9098
348 XYP 0.9097
349 7HP 0.9097
350 R8A 0.9096
351 MPI 0.9095
352 IPU 0.9093
353 PGA 0.9092
354 BU4 0.9092
355 ROR 0.9091
356 FUB 0.9090
357 BZI 0.9089
358 NTN 0.9088
359 URP 0.9087
360 AC0 0.9087
361 UY7 0.9087
362 8GC 0.9085
363 GVH 0.9085
364 0R1 0.9085
365 5HN 0.9084
366 M58 0.9084
367 FJO 0.9083
368 2CH 0.9082
369 RBL 0.9081
370 3AB 0.9081
371 XAP 0.9081
372 LZ1 0.9080
373 HZP 0.9080
374 AL0 0.9076
375 ABV 0.9076
376 ABU 0.9074
377 53C 0.9074
378 APY 0.9074
379 0MK 0.9073
380 ITU 0.9073
381 FK1 0.9073
382 6M4 0.9071
383 PCT 0.9071
384 BUO 0.9070
385 CYH 0.9069
386 COI 0.9068
387 6LW 0.9067
388 RB5 0.9066
389 TEO 0.9066
390 BZF 0.9066
391 WCE 0.9065
392 ICN 0.9065
393 23B 0.9062
394 3BZ 0.9060
395 51F 0.9060
396 BUQ 0.9058
397 SRT 0.9058
398 HAI 0.9057
399 5FX 0.9056
400 I3A 0.9055
401 2AS 0.9054
402 HY3 0.9053
403 SLP 0.9053
404 GOJ 0.9051
405 BUB 0.9051
406 6HQ 0.9050
407 NMG 0.9050
408 V1L 0.9049
409 286 0.9048
410 54G 0.9048
411 POA 0.9046
412 XYS 0.9044
413 PUT 0.9044
414 3BB 0.9040
415 2CO 0.9040
416 VKC 0.9040
417 OXE 0.9039
418 JZ0 0.9035
419 JZ7 0.9035
420 60P 0.9035
421 LLQ 0.9034
422 KOJ 0.9033
423 CXL 0.9033
424 1DQ 0.9032
425 DAS 0.9031
426 CRN 0.9031
427 0CT 0.9030
428 SVN 0.9027
429 EGD 0.9027
430 TMZ 0.9027
431 5RG 0.9025
432 IOM 0.9024
433 NMJ 0.9024
434 LEA 0.9023
435 YHO 0.9023
436 NIS 0.9022
437 GTQ 0.9021
438 1AN 0.9021
439 BRT 0.9021
440 2DR 0.9018
441 MPD 0.9017
442 L60 0.9017
443 ASN 0.9016
444 4XR 0.9015
445 76X 0.9012
446 FP2 0.9012
447 6X8 0.9010
448 LEU 0.9008
449 4CS 0.9007
450 4HM 0.9007
451 CIZ 0.9005
452 TIU 0.9005
453 2MI 0.9005
454 HTS 0.9005
455 Z6J 0.9005
456 URQ 0.9004
457 5M0 0.9002
458 8LG 0.9002
459 7CZ 0.9001
460 BDR 0.9000
461 3OH 0.9000
462 7HQ 0.8999
463 2AF 0.8999
464 ICC 0.8998
465 8NY 0.8997
466 CSS 0.8996
467 GLY GLY 0.8996
468 GBD 0.8995
469 EUG 0.8993
470 ABE 0.8993
471 LNO 0.8992
472 40E 0.8991
473 OK7 0.8990
474 HX3 0.8989
475 XPO 0.8987
476 CXF 0.8987
477 MRZ 0.8986
478 JZ1 0.8986
479 2RH 0.8986
480 YAN 0.8984
481 92Z 0.8984
482 TMH 0.8983
483 QFH 0.8983
484 OPE 0.8983
485 H76 0.8982
486 5AC 0.8981
487 AX7 0.8980
488 270 0.8980
489 GLY CYS 0.8979
490 TF4 0.8979
491 ARA 0.8976
492 9J3 0.8975
493 93Q 0.8973
494 F0J 0.8972
495 S0H 0.8970
496 DPF 0.8968
497 JYD 0.8967
498 RNS 0.8966
499 BE2 0.8966
500 TZE 0.8964
501 9SB 0.8963
502 T6C 0.8962
503 IQ0 0.8960
504 MNN 0.8960
505 GXE 0.8960
506 0TR 0.8957
507 FYU 0.8957
508 L89 0.8957
509 F9P 0.8956
510 3OC 0.8955
511 1DJ 0.8954
512 V55 0.8952
513 938 0.8951
514 SS1 0.8951
515 M1E 0.8950
516 ATQ 0.8950
517 FUM 0.8946
518 GLL 0.8946
519 9TY 0.8945
520 NBN 0.8945
521 1PT 0.8944
522 BXO 0.8943
523 YCP 0.8941
524 9CL 0.8937
525 PHB 0.8937
526 2EZ 0.8935
527 OXQ 0.8935
528 PE9 0.8933
529 QUZ 0.8932
530 DFB 0.8931
531 MEU 0.8930
532 4XX 0.8929
533 ES6 0.8929
534 MTG 0.8929
535 ORN 0.8928
536 GLU 0.8927
537 NPO 0.8925
538 HTX 0.8924
539 9TZ 0.8922
540 WTZ 0.8921
541 IT2 0.8920
542 JKE 0.8920
543 1P7 0.8919
544 OCH 0.8919
545 7MH 0.8919
546 FBA 0.8918
547 PLQ 0.8918
548 SD4 0.8915
549 TMT 0.8913
550 COU 0.8913
551 4FS 0.8911
552 ES5 0.8911
553 D2P 0.8910
554 JBE 0.8910
555 AML 0.8908
556 G2H 0.8907
557 DZZ 0.8907
558 3MH 0.8906
559 JZ9 0.8906
560 SAR 0.8906
561 4HA 0.8905
562 PXY 0.8905
563 HMH 0.8905
564 HY1 0.8905
565 IFM 0.8904
566 ETX 0.8903
567 PAH 0.8901
568 6NA 0.8901
569 RNT 0.8901
570 NLE 0.8901
571 2HA 0.8900
572 AGK 0.8899
573 GG6 0.8896
574 4JL 0.8896
575 3MB 0.8896
576 MET 0.8895
577 PBE 0.8895
578 FUL 0.8895
579 3U4 0.8893
580 2AQ 0.8893
581 34V 0.8893
582 BHH 0.8892
583 5MK 0.8892
584 PCR 0.8891
585 EHM 0.8891
586 03V 0.8889
587 NPY 0.8889
588 DTI 0.8888
589 SX1 0.8887
590 SNE 0.8886
591 VX 0.8886
592 1DV 0.8886
593 5B1 0.8886
594 6CS 0.8885
595 MSE 0.8884
596 RIP 0.8884
597 OVM 0.8884
598 5OB 0.8884
599 XM0 0.8884
600 PEL 0.8884
601 MUC 0.8883
602 150 0.8881
603 2CQ 0.8878
604 BAQ 0.8875
605 7B4 0.8874
606 AZF 0.8874
607 HQE 0.8874
608 FPN 0.8874
609 HX2 0.8872
610 K34 0.8872
611 3SK 0.8871
612 GXV 0.8871
613 ZZT 0.8871
614 2CK 0.8871
615 MXN 0.8870
616 BZ3 0.8868
617 2XX 0.8868
618 Q88 0.8867
619 1WG 0.8866
620 ITN 0.8860
621 8CL 0.8859
622 KKN 0.8856
623 KMT 0.8855
624 7W4 0.8854
625 MBN 0.8852
626 1P3 0.8852
627 ES2 0.8851
628 HL5 0.8850
629 OW4 0.8850
630 GIF 0.8849
631 CMS 0.8847
632 5Y9 0.8845
633 GYE 0.8843
634 173 0.8842
635 4SV 0.8841
636 TBP 0.8840
637 C2B 0.8840
638 25R 0.8840
639 PYM 0.8840
640 6MH 0.8839
641 8H8 0.8837
642 PEA 0.8836
643 278 0.8835
644 TTO 0.8833
645 8OZ 0.8832
646 FCA 0.8831
647 MEV 0.8830
648 3SY 0.8829
649 LG4 0.8826
650 3FA 0.8826
651 FPK 0.8825
652 FLM 0.8823
653 DA1 0.8822
654 ISN 0.8821
655 2CM 0.8820
656 F81 0.8813
657 5XC 0.8813
658 717 0.8813
659 GLN 0.8812
660 WOT 0.8811
661 PZI 0.8811
662 RSO 0.8810
663 2LP 0.8809
664 MBD 0.8809
665 3MC 0.8808
666 TH7 0.8808
667 PAB 0.8807
668 RUU 0.8805
669 LXC 0.8803
670 DUB 0.8803
671 9PO 0.8802
672 HHN 0.8802
673 1P8 0.8802
674 FUC 0.8802
675 3AP 0.8801
676 OGA 0.8800
677 ET2 0.8800
678 5ZE 0.8799
679 GMN 0.8799
680 ICF 0.8799
681 45C 0.8798
682 1LQ 0.8798
683 6JN 0.8796
684 4HS 0.8795
685 HRZ 0.8794
686 DIG 0.8792
687 TC7 0.8791
688 SS2 0.8791
689 HVK 0.8790
690 2MY 0.8790
691 2AP 0.8789
692 A8C 0.8788
693 DGL 0.8786
694 AKG 0.8786
695 DFU 0.8786
696 RMN 0.8785
697 4AP 0.8784
698 PPV 0.8782
699 DPJ 0.8782
700 BSX 0.8781
701 8EW 0.8781
702 SKG 0.8780
703 YTB 0.8780
704 2C9 0.8777
705 BNS 0.8777
706 7WV 0.8775
707 PIH 0.8774
708 94N 0.8774
709 261 0.8773
710 3M0 0.8772
711 9DG 0.8768
712 3CE 0.8768
713 H95 0.8767
714 24B 0.8762
715 Z82 0.8762
716 OXZ 0.8761
717 VNJ 0.8761
718 CEE 0.8761
719 HSW 0.8758
720 TPA 0.8757
721 LRH 0.8754
722 1LN 0.8753
723 9X6 0.8750
724 GUA 0.8749
725 HGW 0.8747
726 FP1 0.8746
727 SPV 0.8743
728 PEP 0.8741
729 4JN 0.8741
730 GUN 0.8740
731 MYJ 0.8739
732 ERH 0.8737
733 2A7 0.8735
734 1WD 0.8735
735 PEQ 0.8734
736 AX2 0.8734
737 ZZ3 0.8731
738 P3K 0.8731
739 13P 0.8729
740 13X 0.8727
741 4NC 0.8727
742 XAN 0.8726
743 RJY 0.8725
744 8FH 0.8724
745 A20 0.8724
746 MED 0.8723
747 AC6 0.8723
748 271 0.8721
749 1CO 0.8720
750 4MV 0.8720
751 OEM 0.8719
752 FFP 0.8716
753 BP1 0.8716
754 PHU 0.8712
755 NSP 0.8711
756 MTD 0.8710
757 HH5 0.8709
758 SPA 0.8708
759 3AY 0.8708
760 6MP 0.8708
761 L3Q 0.8707
762 OVP 0.8704
763 T2C 0.8704
764 3DM 0.8700
765 1Y6 0.8700
766 4RW 0.8700
767 PBZ 0.8700
768 P72 0.8699
769 3V4 0.8699
770 RM1 0.8696
771 SHA 0.8695
772 LGA 0.8695
773 4MA 0.8694
774 P9P 0.8692
775 2EH 0.8691
776 HBD 0.8691
777 INO 0.8684
778 MR1 0.8684
779 5AN 0.8681
780 10L 0.8680
781 HMU 0.8680
782 FRU 0.8680
783 BR8 0.8679
784 PPR 0.8677
785 WDL 0.8676
786 9DA 0.8674
787 DHB 0.8674
788 5HY 0.8673
789 SMN 0.8671
790 KJU 0.8671
791 7A8 0.8671
792 9RW 0.8668
793 SR1 0.8667
794 IOL 0.8665
795 FUF 0.8665
796 CNH 0.8662
797 2AL 0.8661
798 PZM 0.8655
799 IP0 0.8655
800 PRY 0.8653
801 GLC 0.8651
802 PM6 0.8651
803 2BG 0.8651
804 GRO 0.8649
805 XIY 0.8647
806 PMB 0.8645
807 IZC 0.8645
808 ES4 0.8641
809 12M 0.8639
810 SYV 0.8638
811 PDC 0.8634
812 DGJ 0.8633
813 9HX 0.8632
814 45L 0.8632
815 51R 0.8628
816 5RN 0.8628
817 MMU 0.8626
818 JZ4 0.8617
819 IF7 0.8617
820 SC2 0.8616
821 9TW 0.8615
822 POP 0.8615
823 93K 0.8614
824 H8N 0.8613
825 S76 0.8612
826 4M0 0.8610
827 64K 0.8609
828 TAN 0.8608
829 TB0 0.8606
830 2HO 0.8605
831 BHA 0.8602
832 FA0 0.8602
833 ASO 0.8601
834 7WA 0.8600
835 DOB 0.8600
836 2PN 0.8600
837 VSO 0.8593
838 3MT 0.8591
839 3SL 0.8590
840 CHB 0.8590
841 PIS 0.8584
842 5CU 0.8583
843 QY9 0.8579
844 FSG 0.8574
845 ICO 0.8568
846 YRL 0.8567
847 PAC 0.8563
848 1M2 0.8559
849 NOJ 0.8557
850 5NU 0.8555
Ligand no: 3; Ligand: OXM; Similar ligands found: 380
No: Ligand Similarity coefficient
1 PYR 1.0000
2 5Y9 1.0000
3 HBR 1.0000
4 HBS 1.0000
5 NIS 1.0000
6 ALQ 1.0000
7 NAK 1.0000
8 BUO 1.0000
9 DAL 1.0000
10 ALA 1.0000
11 OXD 1.0000
12 2OP 1.0000
13 LAC 1.0000
14 OXL 1.0000
15 1AC 0.9885
16 MB3 0.9870
17 3ZS 0.9839
18 TF4 0.9811
19 DXX 0.9803
20 GOA 0.9797
21 FAH 0.9793
22 BU4 0.9792
23 39J 0.9768
24 THR 0.9753
25 AOA 0.9751
26 DGY 0.9749
27 03W 0.9749
28 3OH 0.9744
29 GLY 0.9733
30 PPI 0.9720
31 BAQ 0.9712
32 DE2 0.9703
33 KSW 0.9698
34 6SP 0.9696
35 DSN 0.9696
36 B20 0.9695
37 0PY 0.9689
38 GBL 0.9688
39 GLV 0.9688
40 NIE 0.9681
41 BNZ 0.9680
42 1CB 0.9680
43 HOW 0.9680
44 HUI 0.9680
45 3PY 0.9679
46 P1R 0.9679
47 HSL 0.9678
48 GOL 0.9672
49 BAL 0.9670
50 MMZ 0.9668
51 2RA 0.9665
52 2KT 0.9659
53 SER 0.9658
54 2AI 0.9656
55 3TR 0.9655
56 4AX 0.9654
57 7EX 0.9648
58 HAE 0.9648
59 DMI 0.9647
60 KG7 0.9644
61 HIU 0.9640
62 ATQ 0.9640
63 R3W 0.9637
64 PHZ 0.9634
65 1MZ 0.9631
66 SAR 0.9631
67 DBB 0.9629
68 AMT 0.9628
69 ALF 0.9628
70 3MT 0.9621
71 J3K 0.9620
72 4MZ 0.9617
73 A3B 0.9615
74 2MZ 0.9611
75 BMD 0.9609
76 MR3 0.9607
77 TRI 0.9606
78 PZO 0.9605
79 SMB 0.9605
80 AKR 0.9597
81 2A3 0.9594
82 CYS 0.9588
83 DTI 0.9587
84 2A1 0.9582
85 BUA 0.9578
86 MZY 0.9570
87 DCY 0.9564
88 C2N 0.9564
89 AGU 0.9559
90 BUQ 0.9557
91 F50 0.9553
92 F3V 0.9551
93 5MP 0.9549
94 NHY 0.9548
95 HUH 0.9546
96 HVB 0.9540
97 5KX 0.9537
98 HVK 0.9535
99 IMD 0.9526
100 LGA 0.9508
101 MGX 0.9506
102 61G 0.9504
103 IPH 0.9503
104 2AP 0.9501
105 ABA 0.9498
106 HRZ 0.9492
107 A2Q 0.9491
108 CXL 0.9488
109 CYH 0.9488
110 MLI 0.9484
111 C5J 0.9482
112 HAI 0.9479
113 XAP 0.9470
114 TAY 0.9469
115 JZ6 0.9468
116 NMU 0.9465
117 MBN 0.9465
118 HYN 0.9465
119 3AP 0.9456
120 3GR 0.9453
121 PPF 0.9445
122 3CL 0.9441
123 4AP 0.9432
124 TSZ 0.9429
125 3BB 0.9427
126 ATO 0.9424
127 L60 0.9424
128 9PO 0.9423
129 ES3 0.9413
130 9A4 0.9411
131 2IM 0.9410
132 3ZQ 0.9405
133 40O 0.9396
134 HLT 0.9395
135 BYZ 0.9390
136 WOT 0.9386
137 93B 0.9378
138 CP2 0.9377
139 DMG 0.9373
140 MEU 0.9365
141 EGD 0.9360
142 MLA 0.9354
143 CAQ 0.9350
144 BUB 0.9346
145 BRP 0.9345
146 BXA 0.9338
147 SLP 0.9338
148 DTL 0.9338
149 V1L 0.9331
150 L89 0.9329
151 GXV 0.9329
152 192 0.9324
153 PXO 0.9318
154 8LG 0.9315
155 2HA 0.9313
156 76X 0.9311
157 93Q 0.9311
158 ETF 0.9307
159 XIX 0.9307
160 FP2 0.9306
161 23W 0.9302
162 1AN 0.9301
163 MRY 0.9294
164 GXE 0.9285
165 2AF 0.9285
166 JZ0 0.9279
167 MTG 0.9277
168 92Z 0.9275
169 938 0.9272
170 BXO 0.9271
171 PYZ 0.9269
172 PIH 0.9268
173 4XX 0.9266
174 BEW 0.9266
175 24T 0.9264
176 HHN 0.9262
177 1BP 0.9260
178 3HR 0.9259
179 MZ0 0.9256
180 4DX 0.9255
181 8CL 0.9253
182 3HL 0.9244
183 OXE 0.9239
184 CEJ 0.9238
185 IVA 0.9236
186 LER 0.9235
187 J1Z 0.9228
188 H3M 0.9224
189 CHT 0.9218
190 E60 0.9217
191 HV2 0.9217
192 TFB 0.9211
193 2CH 0.9206
194 TCV 0.9204
195 TTO 0.9204
196 TMZ 0.9199
197 FJO 0.9195
198 HGW 0.9191
199 AAE 0.9190
200 HTS 0.9185
201 NVI 0.9185
202 285 0.9167
203 IQ0 0.9161
204 MMU 0.9160
205 TMT 0.9156
206 FW5 0.9148
207 6X8 0.9145
208 25T 0.9142
209 PRI 0.9136
210 YAN 0.9135
211 280 0.9135
212 HPY 0.9097
213 PRS 0.9084
214 26D 0.9078
215 8X3 0.9077
216 FMS 0.9071
217 URA 0.9069
218 DUC 0.9067
219 TFS 0.9066
220 TAU 0.9065
221 1DH 0.9064
222 CYT 0.9060
223 BAE 0.9058
224 4JU 0.9055
225 2HE 0.9051
226 DTU 0.9050
227 ITU 0.9045
228 RP7 0.9044
229 DCD 0.9044
230 AKB 0.9038
231 HSW 0.9030
232 FOA 0.9029
233 LG3 0.9029
234 8GF 0.9024
235 BVG 0.9020
236 RCO 0.9020
237 SSN 0.9019
238 278 0.9018
239 D2P 0.9017
240 ALO 0.9016
241 KIV 0.9016
242 P2D 0.9014
243 PRO 0.9009
244 EDO 0.9002
245 VAL 0.9001
246 2HP 0.9000
247 DPR 0.8997
248 2PC 0.8995
249 FCN 0.8993
250 BVC 0.8992
251 2EZ 0.8988
252 ODV 0.8985
253 LG5 0.8985
254 CRS 0.8980
255 IDH 0.8979
256 POA 0.8974
257 284 0.8972
258 HVQ 0.8969
259 PYC 0.8965
260 25R 0.8957
261 4CH 0.8951
262 PAE 0.8946
263 BVF 0.8944
264 ICN 0.8943
265 CIG 0.8940
266 ETM 0.8938
267 DTT 0.8936
268 1XX 0.8932
269 3CH 0.8925
270 VSO 0.8922
271 TZC 0.8922
272 JBN 0.8920
273 PCR 0.8916
274 T2C 0.8913
275 HQE 0.8909
276 RSF 0.8904
277 DA1 0.8903
278 P7I 0.8902
279 LG4 0.8898
280 9X7 0.8896
281 2MH 0.8894
282 ECE 0.8891
283 HEW 0.8889
284 SYN 0.8888
285 JAB 0.8888
286 MAK 0.8882
287 B3R 0.8881
288 NCM 0.8880
289 PLQ 0.8876
290 HGQ 0.8875
291 PXY 0.8873
292 4JN 0.8871
293 FPN 0.8871
294 MSF 0.8871
295 FUS 0.8865
296 BML 0.8864
297 HHQ 0.8860
298 HCS 0.8857
299 TP5 0.8849
300 TAN 0.8846
301 265 0.8842
302 4H2 0.8838
303 M3T 0.8837
304 8FH 0.8833
305 CSS 0.8833
306 4HS 0.8818
307 YHO 0.8812
308 CNH 0.8809
309 DAB 0.8801
310 IOL 0.8796
311 TMO 0.8790
312 PUT 0.8788
313 TBU 0.8788
314 TDR 0.8784
315 ICP 0.8779
316 03S 0.8779
317 ICC 0.8778
318 TB0 0.8776
319 URF 0.8771
320 282 0.8771
321 BF4 0.8770
322 273 0.8767
323 GB 0.8766
324 APY 0.8764
325 4HO 0.8760
326 1MC 0.8756
327 3MC 0.8752
328 BRJ 0.8751
329 1DU 0.8749
330 27Y 0.8748
331 HSE 0.8738
332 A1U 0.8736
333 WBU 0.8735
334 FPY 0.8733
335 MMQ 0.8728
336 MCT 0.8728
337 2PA 0.8727
338 5MH 0.8724
339 FLM 0.8724
340 NEQ 0.8721
341 MWM 0.8721
342 XYD 0.8719
343 GVH 0.8716
344 AMC 0.8715
345 FFP 0.8713
346 MWJ 0.8713
347 4CL 0.8712
348 PO4 0.8701
349 0R1 0.8698
350 MZG 0.8696
351 JZ2 0.8692
352 1PT 0.8686
353 4ZE 0.8683
354 5UC 0.8681
355 SMV 0.8678
356 FPO 0.8677
357 ABN 0.8673
358 AXO 0.8672
359 CP 0.8671
360 4JJ 0.8669
361 BZF 0.8668
362 9CL 0.8668
363 1MR 0.8664
364 ACT 0.8663
365 ISU 0.8654
366 HBX 0.8651
367 DEN 0.8646
368 OSM 0.8645
369 PYG 0.8644
370 ACM 0.8644
371 C21 0.8642
372 AF3 0.8637
373 FPI 0.8630
374 NBE 0.8629
375 PY7 0.8620
376 PYJ 0.8620
377 MBD 0.8614
378 MTD 0.8610
379 JZ3 0.8604
380 SEY 0.8550
Similar Binding Sites (Proteins are less than 50% similar to leader)
Pocket No.: 1; Query (leader) PDB : 1H16; 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: 1) in the query (biounit: 1h16.bio1) has 25 residues
No: Leader PDB Ligand Sequence Similarity
Pocket No.: 2; Query (leader) PDB : 1H16; 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: 2) in the query (biounit: 1h16.bio1) has 25 residues
No: Leader PDB Ligand Sequence Similarity
Pocket No.: 3; Query (leader) PDB : 1H16; Ligand: DTL; 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: 1h16.bio1) has 18 residues
No: Leader PDB Ligand Sequence Similarity
Pocket No.: 4; Query (leader) PDB : 1H16; Ligand: DTL; 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: 1h16.bio1) has 18 residues
No: Leader PDB Ligand Sequence Similarity
Pocket No.: 5; Query (leader) PDB : 1H16; Ligand: PYR; 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: 1h16.bio1) has 10 residues
No: Leader PDB Ligand Sequence Similarity
Pocket No.: 6; Query (leader) PDB : 1H16; Ligand: PYR; 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: 1h16.bio1) has 10 residues
No: Leader PDB Ligand Sequence Similarity
Pocket No.: 7; Query (leader) PDB : 1H16; Ligand: DTL; Similar sites found with APoc: No similar binding sites found, or similarity not calculated due to duplicate pocket.
This union binding pocket(no: 7) in the query (biounit: 1h16.bio1) has 9 residues
No: Leader PDB Ligand Sequence Similarity
Pocket No.: 8; Query (leader) PDB : 1H16; Ligand: DTL; Similar sites found with APoc: No similar binding sites found, or similarity not calculated due to duplicate pocket.
This union binding pocket(no: 8) in the query (biounit: 1h16.bio1) has 9 residues
No: Leader PDB Ligand Sequence Similarity
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