Receptor
PDB id Resolution Class Description Source Keywords
3DWC 2.1 Å EC: 3.4.17.19 TRYPANOSOMA CRUZI METALLOCARBOXYPEPTIDASE 1 TRYPANOSOMA CRUZI METALLOCARBOXYPEPTIDASE COWRIN FAMILY OF METALLOCARBOXYPEPTCARBOXYPEPTIDASE HYDROLASE
Ref.: THE MOLECULAR ANALYSIS OF TRYPANOSOMA CRUZI METALLOCARBOXYPEPTIDASE 1 PROVIDES INSIGHT INTO FOL SUBSTRATE SPECIFICITY MOL.MICROBIOL. V. 70 853 2008
Ligand
Ligand Chain:Residue Validity Ligand Warnings Binding Data NGL Viewer Molecular Weight (Da) Formula SMILES
CO A:999;
B:999;
C:999;
D:999;
Part of Protein;
Part of Protein;
Part of Protein;
Part of Protein;
none;
none;
none;
none;
submit data
58.933 Co [Co+2...
GLY ALA B:701;
Valid;
none;
submit data
n/a n/a
GOL A:703;
A:704;
A:705;
A:708;
A:710;
A:711;
B:706;
B:707;
B:709;
Invalid;
Invalid;
Invalid;
Invalid;
Invalid;
Invalid;
Invalid;
Invalid;
Invalid;
none;
none;
none;
none;
none;
none;
none;
none;
none;
submit data
92.094 C3 H8 O3 C(C(C...
SO4 A:604;
A:609;
A:610;
B:602;
B:606;
B:607;
B:611;
B:612;
C:603;
C:605;
C:613;
D:601;
D:608;
Invalid;
Invalid;
Invalid;
Invalid;
Invalid;
Invalid;
Invalid;
Invalid;
Invalid;
Invalid;
Invalid;
Invalid;
Invalid;
none;
none;
none;
none;
none;
none;
none;
none;
none;
none;
none;
none;
none;
submit data
96.063 O4 S [O-]S...
View in 3D viewer
90% Homology Family
Leader
PDB id Resolution Class Description Source Keywords
3DWC 2.1 Å EC: 3.4.17.19 TRYPANOSOMA CRUZI METALLOCARBOXYPEPTIDASE 1 TRYPANOSOMA CRUZI METALLOCARBOXYPEPTIDASE COWRIN FAMILY OF METALLOCARBOXYPEPTCARBOXYPEPTIDASE HYDROLASE
Ref.: THE MOLECULAR ANALYSIS OF TRYPANOSOMA CRUZI METALLOCARBOXYPEPTIDASE 1 PROVIDES INSIGHT INTO FOL SUBSTRATE SPECIFICITY MOL.MICROBIOL. V. 70 853 2008
Members (1)
No: PDB id Binding Data Representative ligand Formula Smiles
The Class containing this family consists of a total of 1 families.
1 3DWC - GLY ALA n/a n/a
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 3DWC - GLY ALA n/a n/a
50% 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 3DWC - GLY ALA n/a n/a
Polypharmacology
Similar Ligands (2D)
Ligand no: 1; Ligand: GLY ALA; Similar ligands found: 0
No: Ligand ECFP6 Tc MDL keys Tc
Similar Ligands (3D)
Ligand no: 1; Ligand: GLY ALA; Similar ligands found: 390
No: Ligand Similarity coefficient
1 GLY ALA 1.0000
2 XRG 0.9552
3 IHG 0.9538
4 BHH 0.9536
5 K6V 0.9504
6 DTL 0.9492
7 GLY CYS 0.9477
8 HDA 0.9464
9 XYL 0.9457
10 TZL 0.9455
11 MRY 0.9418
12 FBJ 0.9407
13 RB5 0.9402
14 RB0 0.9402
15 LMR 0.9383
16 5XA 0.9382
17 HL5 0.9380
18 XLS 0.9371
19 MXN 0.9370
20 SD4 0.9369
21 AL0 0.9366
22 XBT 0.9347
23 54D 0.9342
24 MLT 0.9329
25 GLY GLY 0.9321
26 OAA 0.9319
27 2EH 0.9312
28 IOM 0.9281
29 SIN 0.9274
30 3HL 0.9273
31 CFI 0.9271
32 MNN 0.9269
33 CRN 0.9256
34 I1E 0.9252
35 1DJ 0.9249
36 MLI 0.9247
37 PZI 0.9246
38 DAS 0.9240
39 PAH 0.9233
40 PEP 0.9228
41 OGA 0.9228
42 GLU 0.9225
43 23W 0.9220
44 RNS 0.9215
45 BHO 0.9213
46 PKU 0.9202
47 F9P 0.9202
48 MET 0.9197
49 MLA 0.9196
50 OTR 0.9195
51 LEU 0.9191
52 ASP 0.9191
53 PEL 0.9188
54 ISZ 0.9181
55 MUC 0.9181
56 HDH 0.9178
57 LER 0.9168
58 NIZ 0.9167
59 COI 0.9167
60 HZP 0.9166
61 TLA 0.9165
62 ZBT 0.9160
63 HY1 0.9155
64 LLQ 0.9153
65 4SD 0.9149
66 3HR 0.9149
67 ILE 0.9148
68 TZE 0.9145
69 FEH 0.9145
70 MZW 0.9144
71 49F 0.9143
72 DGN 0.9142
73 HSM 0.9137
74 HX2 0.9137
75 KOJ 0.9134
76 RJY 0.9132
77 1SP 0.9132
78 CMS 0.9129
79 IPU 0.9128
80 ALA ALA 0.9124
81 3OM 0.9117
82 MED 0.9117
83 RBL 0.9116
84 FUM 0.9115
85 HCS 0.9115
86 HYA 0.9112
87 XUL 0.9109
88 IVA 0.9107
89 PG0 0.9105
90 AKG 0.9100
91 SYM 0.9098
92 PRO 0.9097
93 FBM 0.9095
94 PEA 0.9094
95 6PC 0.9094
96 ORN 0.9093
97 DCL 0.9090
98 9YL 0.9083
99 8OZ 0.9082
100 6NA 0.9081
101 ROR 0.9080
102 TEO 0.9080
103 IXW 0.9079
104 TFB 0.9078
105 DYA 0.9078
106 OEM 0.9076
107 NXA 0.9075
108 DAV 0.9074
109 GJZ 0.9072
110 PRS 0.9068
111 4CS 0.9066
112 BP9 0.9064
113 CXF 0.9063
114 GLN 0.9063
115 ABU 0.9060
116 VKC 0.9060
117 XM0 0.9058
118 AMC 0.9057
119 ITN 0.9052
120 JZ5 0.9051
121 ABN 0.9050
122 2HG 0.9050
123 7WG 0.9050
124 DTT 0.9048
125 DMG 0.9048
126 MAE 0.9048
127 3OL 0.9041
128 JYD 0.9040
129 FW5 0.9040
130 3HB 0.9039
131 ASN 0.9036
132 SSN 0.9035
133 1SA 0.9035
134 QY9 0.9035
135 AAE 0.9035
136 45L 0.9030
137 GUA 0.9029
138 OEG 0.9028
139 SRT 0.9027
140 OKG 0.9024
141 PAE 0.9022
142 CP 0.9021
143 DTU 0.9020
144 2RH 0.9020
145 SMV 0.9019
146 PCA 0.9018
147 HTX 0.9016
148 4MV 0.9015
149 FQI 0.9010
150 2PC 0.9009
151 THE 0.9006
152 MEQ 0.9005
153 PYJ 0.9003
154 GP9 0.9003
155 SYN 0.9002
156 QDK 0.9001
157 B24 0.9001
158 GGL 0.8998
159 40E 0.8997
160 RSO 0.8996
161 2CO 0.8996
162 OPE 0.8994
163 GOJ 0.8992
164 O8Y 0.8992
165 SGL 0.8992
166 PYC 0.8986
167 TZC 0.8985
168 DE5 0.8985
169 3OC 0.8985
170 173 0.8984
171 LYS 0.8984
172 FOC 0.8982
173 268 0.8982
174 271 0.8978
175 S0H 0.8978
176 7VD 0.8978
177 M58 0.8977
178 13P 0.8977
179 CEE 0.8974
180 7N0 0.8974
181 3BU 0.8973
182 BEZ 0.8971
183 BNS 0.8970
184 3NT 0.8969
185 G3P 0.8969
186 G3H 0.8969
187 UYA 0.8967
188 RNT 0.8967
189 3MV 0.8965
190 TPA 0.8965
191 3SL 0.8964
192 C2A 0.8961
193 NTU 0.8960
194 HSO 0.8960
195 717 0.8960
196 9X7 0.8956
197 5FX 0.8955
198 VAH 0.8955
199 H95 0.8954
200 NIO 0.8954
201 DGL 0.8951
202 HSE 0.8951
203 PGA 0.8951
204 SC2 0.8949
205 NCA 0.8948
206 BAM 0.8946
207 BEN 0.8946
208 YRL 0.8943
209 1GP 0.8943
210 P2D 0.8942
211 PAC 0.8941
212 53C 0.8940
213 IZC 0.8940
214 HIS 0.8938
215 0V5 0.8937
216 TAR 0.8937
217 7BC 0.8936
218 K34 0.8936
219 PG3 0.8936
220 SMN 0.8934
221 3LR 0.8933
222 7MU 0.8933
223 AOS 0.8933
224 RMN 0.8932
225 PBC 0.8931
226 98J 0.8930
227 CYS 0.8930
228 9J3 0.8927
229 SHF 0.8927
230 MPD 0.8925
231 EHM 0.8924
232 1DV 0.8923
233 JBN 0.8919
234 SNE 0.8917
235 SHO 0.8915
236 DSN 0.8913
237 PRA 0.8909
238 2IT 0.8908
239 DBB 0.8908
240 KMT 0.8906
241 PEQ 0.8904
242 URP 0.8901
243 AHB 0.8900
244 PMB 0.8899
245 NLE 0.8898
246 263 0.8897
247 OHG 0.8896
248 AEF 0.8896
249 2AL 0.8896
250 HE2 0.8894
251 PZA 0.8893
252 G2H 0.8891
253 SS1 0.8885
254 YCP 0.8885
255 DAL DAL 0.8881
256 SOR 0.8880
257 NMH 0.8878
258 FB2 0.8874
259 GRO 0.8874
260 258 0.8873
261 NYL 0.8869
262 JZ7 0.8869
263 N4B 0.8866
264 GLL 0.8865
265 A09 0.8864
266 1H1 0.8863
267 NMG 0.8861
268 2FT 0.8859
269 OCT 0.8858
270 QSC 0.8858
271 3PG 0.8857
272 URQ 0.8856
273 DLY 0.8851
274 MEV 0.8851
275 264 0.8847
276 SPV 0.8846
277 BNF 0.8846
278 YIV 0.8844
279 1DU 0.8844
280 MD0 0.8844
281 PGH 0.8843
282 7C3 0.8840
283 AG2 0.8839
284 APG 0.8839
285 UNU 0.8837
286 4XR 0.8834
287 KIV 0.8834
288 LEA 0.8826
289 069 0.8823
290 DHR 0.8823
291 269 0.8821
292 PPV 0.8821
293 9RW 0.8813
294 TB6 0.8809
295 FUD 0.8806
296 HIO 0.8800
297 DXX 0.8796
298 I4B 0.8795
299 X1S 0.8795
300 1KA 0.8793
301 9ON 0.8791
302 PCT 0.8790
303 IT2 0.8787
304 69O 0.8787
305 K6H 0.8785
306 A20 0.8785
307 SPA 0.8781
308 UY7 0.8781
309 GZ3 0.8778
310 SHV 0.8775
311 42J 0.8775
312 MRZ 0.8775
313 2PG 0.8773
314 HYP 0.8771
315 B40 0.8771
316 HE4 0.8767
317 LT1 0.8767
318 0VT 0.8766
319 TIH 0.8765
320 129 0.8762
321 4JL 0.8761
322 MLE 0.8760
323 N6C 0.8760
324 4FA 0.8754
325 ONL 0.8753
326 M6W 0.8752
327 BXO 0.8746
328 NVA 0.8742
329 DHS 0.8741
330 PSJ 0.8741
331 KDG 0.8740
332 URS 0.8739
333 LNO 0.8737
334 XCZ 0.8736
335 NCT 0.8734
336 KMH 0.8727
337 PIS 0.8725
338 AFS 0.8725
339 16D 0.8725
340 PJL 0.8723
341 OOG 0.8723
342 ACA 0.8717
343 RBJ 0.8715
344 6JN 0.8715
345 LPK 0.8714
346 BHL 0.8713
347 PPR 0.8705
348 1CO 0.8701
349 LDP 0.8694
350 S2G 0.8692
351 2DR 0.8692
352 LTL 0.8688
353 1SH 0.8688
354 FK8 0.8687
355 QMP 0.8686
356 AC0 0.8683
357 PLU 0.8682
358 2PN 0.8672
359 SAT 0.8670
360 3SS 0.8665
361 SHI 0.8663
362 ACH 0.8662
363 AE3 0.8660
364 S2P 0.8658
365 GLO 0.8658
366 HCI 0.8656
367 KTA 0.8653
368 JAB 0.8648
369 ICF 0.8644
370 ASC 0.8642
371 A8C 0.8632
372 R2P 0.8630
373 LFC 0.8629
374 FBW 0.8625
375 I38 0.8624
376 HIC 0.8617
377 FBA 0.8616
378 URO 0.8606
379 CXP 0.8602
380 PZM 0.8600
381 AT3 0.8594
382 HGA 0.8584
383 B3U 0.8584
384 P22 0.8582
385 A3M 0.8580
386 KPL 0.8571
387 HMH 0.8564
388 9X6 0.8553
389 HG3 0.8541
390 O45 0.8537
Similar Binding Sites (Proteins are less than 50% similar to leader) APoc FAQ
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