Receptor
PDB id Resolution Class Description Source Keywords
7AGO 1.7 Å EC: 3.-.-.- CRYSTAL STRUCTURE OF THE N-ACETYLMURAMYL-L-ALANINE AMIDASE, MYCOBACTERIUM ABSCESSUS BOUND TO L-ALANINE-D-ISOGLUTAMINE MYCOBACTEROIDES ABSCESSUS AMIDASE PEPTIDOGLYCAN SUGAR BINDING PROTEIN
Ref.: FUNCTIONAL CHARACTERIZATION OF THE N -ACETYLMURAMYL-L-ALANINE AMIDASE, AMI1, FROM MYCOBA ABSCESSUS . CELLS V. 9 2020
Ligand
Ligand Chain:Residue Validity Ligand Warnings Binding Data NGL Viewer Molecular Weight (Da) Formula SMILES
ZN A:303;
 Part of Protein;
 none;
 submit data
65.409 Zn [Zn+2...
ALA A:302;
 Valid;
 Atoms found LESS than expected: % Diff = 0.167;
 submit data
89.093 C3 H7 N O2 C[C@@...
ZGL A:301;
 Valid;
 none;
 submit data
146.144 C5 H10 N2 O3 C(CC(...
View in 3D viewer
90% Homology Family
Leader
PDB id Resolution Class Description Source Keywords
7AGO 1.7 Å EC: 3.-.-.- CRYSTAL STRUCTURE OF THE N-ACETYLMURAMYL-L-ALANINE AMIDASE, MYCOBACTERIUM ABSCESSUS BOUND TO L-ALANINE-D-ISOGLUTAMINE MYCOBACTEROIDES ABSCESSUS AMIDASE PEPTIDOGLYCAN SUGAR BINDING PROTEIN
Ref.: FUNCTIONAL CHARACTERIZATION OF THE N -ACETYLMURAMYL-L-ALANINE AMIDASE, AMI1, FROM MYCOBA ABSCESSUS . CELLS V. 9 2020
Members (1)
No: PDB id Binding Data Representative ligand Formula Smiles
The Class containing this family consists of a total of 312 families.
1 7AGO - ALA C3 H7 N O2 C[C@@H](C(....
70% Homology Family (2)
No: PDB id Binding Data Representative ligand Formula Smiles
The Class containing this family consists of a total of 261 families.
1 4M6G - ALA ZGL n/a n/a
2 7AGO - ALA C3 H7 N O2 C[C@@H](C(....
50% Homology Family (2)
No: PDB id Binding Data Representative ligand Formula Smiles
The Class containing this family consists of a total of 214 families.
1 4M6G - ALA ZGL n/a n/a
2 7AGO - ALA C3 H7 N O2 C[C@@H](C(....
Polypharmacology
Similar Ligands (2D)
Ligand no: 1; Ligand: ALA; Similar ligands found: 21
No: Ligand ECFP6 Tc MDL keys Tc
1 DAL 1 1
2 ALA 1 1
3 VAL 0.611111 0.882353
4 ALO 0.578947 0.789474
5 THR 0.578947 0.789474
6 HGY 0.5625 0.666667
7 DBB 0.526316 0.75
8 AKB 0.526316 0.75
9 ABA 0.526316 0.75
10 SKG 0.52381 0.833333
11 ILE 0.5 0.714286
12 LEU 0.5 0.681818
13 NVA 0.434783 0.652174
14 VAH 0.434783 0.6
15 FLA 0.428571 0.636364
16 C2N 0.428571 0.636364
17 CYS 0.428571 0.608696
18 DCY 0.428571 0.608696
19 HL5 0.407407 0.6
20 SKJ 0.407407 0.652174
21 I2M 0.4 0.6
Ligand no: 2; Ligand: ZGL; Similar ligands found: 14
No: Ligand ECFP6 Tc MDL keys Tc
1 ZGL 1 1
2 DGL 0.62963 0.793103
3 GLU 0.62963 0.793103
4 GGL 0.62963 0.793103
5 HOZ 0.451613 0.6875
6 UN1 0.424242 0.766667
7 11C 0.424242 0.766667
8 GLN 0.419355 0.964286
9 DGN 0.419355 0.964286
10 KSN 0.404762 0.84375
11 3O3 0.4 0.648649
12 HCS 0.4 0.625
13 NVA 0.4 0.645161
14 NPI 0.4 0.741935
Similar Ligands (3D)
Ligand no: 1; Ligand: ALA; Similar ligands found: 342
No: Ligand Similarity coefficient
1 NHY 1.0000
2 FAH 1.0000
3 NIE 1.0000
4 F50 1.0000
5 F3V 1.0000
6 GLV 1.0000
7 GOA 1.0000
8 HVB 1.0000
9 AGU 1.0000
10 HAE 1.0000
11 61G 1.0000
12 5Y9 1.0000
13 OXD 1.0000
14 2OP 1.0000
15 LAC 1.0000
16 ALQ 1.0000
17 NIS 1.0000
18 BUO 1.0000
19 OXM 1.0000
20 HBS 1.0000
21 PYR 1.0000
22 NAK 1.0000
23 OXL 1.0000
24 PYM 1.0000
25 NMU 0.9999
26 PPI 0.9988
27 AKR 0.9988
28 MGX 0.9987
29 HBR 0.9971
30 TSZ 0.9969
31 BRP 0.9967
32 GLY 0.9954
33 ATO 0.9932
34 2A1 0.9902
35 TCV 0.9855
36 2A3 0.9849
37 TF4 0.9849
38 SER 0.9831
39 HUI 0.9743
40 DE2 0.9740
41 1AC 0.9716
42 SMB 0.9699
43 AOA 0.9696
44 HIU 0.9674
45 39J 0.9665
46 MB3 0.9650
47 03W 0.9647
48 DGY 0.9647
49 KG7 0.9633
50 3PY 0.9632
51 DXX 0.9625
52 R3W 0.9620
53 SEY 0.9620
54 ACM 0.9588
55 BUA 0.9587
56 BAL 0.9585
57 ALF 0.9585
58 TAY 0.9576
59 DMI 0.9574
60 3MT 0.9570
61 2KT 0.9570
62 BMD 0.9568
63 SAR 0.9560
64 GXV 0.9551
65 GOL 0.9551
66 4AX 0.9549
67 3OH 0.9545
68 2RA 0.9544
69 CP2 0.9543
70 3GR 0.9543
71 MLI 0.9539
72 3ZS 0.9535
73 1BP 0.9529
74 AF3 0.9525
75 PPF 0.9522
76 PXO 0.9522
77 BAQ 0.9521
78 MEU 0.9516
79 DSN 0.9510
80 HSL 0.9508
81 ACT 0.9500
82 MMZ 0.9500
83 A3B 0.9494
84 B20 0.9492
85 1MZ 0.9488
86 0PY 0.9481
87 DMG 0.9480
88 DTI 0.9480
89 9A4 0.9476
90 BNZ 0.9475
91 HOW 0.9473
92 2AI 0.9471
93 3TR 0.9471
94 2HA 0.9471
95 BUQ 0.9466
96 MR3 0.9461
97 ETF 0.9458
98 4MZ 0.9447
99 BU4 0.9446
100 AMT 0.9444
101 P1R 0.9443
102 KCS 0.9440
103 MMU 0.9440
104 6SP 0.9433
105 PHZ 0.9432
106 2MZ 0.9427
107 GBL 0.9425
108 EGD 0.9422
109 ATQ 0.9421
110 XAP 0.9418
111 HLT 0.9415
112 BEF 0.9410
113 5MP 0.9409
114 KSW 0.9404
115 BXA 0.9400
116 IVA 0.9398
117 J3K 0.9398
118 BUB 0.9386
119 NOE 0.9384
120 1CB 0.9384
121 MZY 0.9378
122 MLA 0.9370
123 JZ6 0.9364
124 IPH 0.9362
125 7EX 0.9352
126 3BB 0.9342
127 EDO 0.9341
128 78T 0.9338
129 AXO 0.9337
130 IPA 0.9329
131 PZO 0.9323
132 5KX 0.9323
133 3HR 0.9322
134 9PO 0.9314
135 2PO 0.9310
136 L60 0.9306
137 HYN 0.9306
138 SLP 0.9305
139 V1L 0.9302
140 93B 0.9300
141 MTG 0.9299
142 4AP 0.9297
143 HV2 0.9295
144 GXE 0.9291
145 TAN 0.9291
146 3HL 0.9288
147 TRI 0.9286
148 HUH 0.9286
149 A2Q 0.9283
150 MBN 0.9283
151 MLM 0.9281
152 CRD 0.9278
153 IMD 0.9275
154 LER 0.9267
155 HSW 0.9257
156 D2P 0.9256
157 C5J 0.9253
158 HRZ 0.9250
159 CNH 0.9248
160 HVK 0.9240
161 L89 0.9238
162 BYZ 0.9238
163 23W 0.9238
164 LGA 0.9236
165 DTL 0.9229
166 TB0 0.9227
167 2IM 0.9223
168 2AP 0.9221
169 76X 0.9221
170 3AP 0.9218
171 VN4 0.9217
172 24T 0.9213
173 OSM 0.9211
174 CHT 0.9203
175 AAE 0.9202
176 CEJ 0.9199
177 93Q 0.9199
178 2AF 0.9198
179 1AN 0.9197
180 VSO 0.9194
181 XIX 0.9192
182 WOT 0.9190
183 3CL 0.9187
184 CAQ 0.9186
185 8FH 0.9184
186 ES3 0.9184
187 FP2 0.9184
188 192 0.9183
189 MRY 0.9183
190 938 0.9176
191 OXE 0.9171
192 4XX 0.9171
193 PYZ 0.9166
194 SSN 0.9163
195 JZ0 0.9162
196 8LG 0.9162
197 92Z 0.9160
198 8CL 0.9146
199 HHN 0.9134
200 MZ0 0.9131
201 CXL 0.9128
202 CYH 0.9128
203 J1Z 0.9127
204 FW5 0.9124
205 MCH 0.9120
206 HAI 0.9115
207 2CH 0.9114
208 BEW 0.9110
209 TTO 0.9110
210 PRI 0.9108
211 HTS 0.9099
212 PIH 0.9093
213 YAN 0.9081
214 280 0.9062
215 HGW 0.9060
216 P2D 0.9060
217 TMZ 0.9057
218 TFB 0.9044
219 6X8 0.9040
220 ITU 0.9033
221 DCD 0.9031
222 40O 0.9030
223 285 0.9028
224 3ZQ 0.9025
225 E60 0.9023
226 DTT 0.9015
227 NVI 0.9014
228 BRJ 0.9012
229 1SP 0.9010
230 2HE 0.9010
231 FJO 0.9009
232 IQ0 0.9005
233 TMO 0.9004
234 PRS 0.9001
235 TAU 0.9000
236 4DX 0.8997
237 FPO 0.8996
238 ICN 0.8996
239 BAE 0.8996
240 FMS 0.8990
241 H3M 0.8988
242 PRO 0.8983
243 URA 0.8981
244 HSE 0.8973
245 DAB 0.8972
246 TMT 0.8972
247 9A7 0.8970
248 POA 0.8970
249 25T 0.8966
250 CYT 0.8965
251 2HP 0.8965
252 KIV 0.8964
253 ODV 0.8963
254 HCS 0.8962
255 TBU 0.8960
256 8X3 0.8959
257 CSS 0.8951
258 DCE 0.8949
259 LG3 0.8946
260 HPY 0.8940
261 TFS 0.8936
262 278 0.8930
263 8GF 0.8930
264 26D 0.8926
265 FUS 0.8921
266 03S 0.8915
267 CRS 0.8914
268 DUC 0.8911
269 FOA 0.8906
270 MSF 0.8906
271 1DH 0.8887
272 BVG 0.8886
273 MAK 0.8886
274 LG5 0.8886
275 2PA 0.8879
276 DTU 0.8871
277 ETX 0.8869
278 RCO 0.8867
279 BVF 0.8864
280 FCN 0.8861
281 PUT 0.8855
282 2EZ 0.8852
283 3CH 0.8851
284 MMQ 0.8849
285 CIG 0.8848
286 PYC 0.8843
287 2PC 0.8840
288 WO6 0.8840
289 HGQ 0.8839
290 P7I 0.8836
291 9X7 0.8835
292 JBN 0.8833
293 GB 0.8818
294 B3R 0.8817
295 T2C 0.8814
296 IDH 0.8814
297 ICC 0.8809
298 PAE 0.8808
299 BVC 0.8799
300 HVQ 0.8799
301 9XN 0.8789
302 RSF 0.8786
303 273 0.8778
304 4JN 0.8777
305 ART 0.8774
306 NCM 0.8770
307 BF4 0.8768
308 PO4 0.8763
309 M3T 0.8762
310 TP5 0.8757
311 4HS 0.8738
312 RP7 0.8738
313 1XX 0.8734
314 4H2 0.8732
315 ETM 0.8730
316 NEQ 0.8727
317 QPT 0.8725
318 BML 0.8722
319 4CH 0.8719
320 IOL 0.8717
321 284 0.8697
322 SYN 0.8694
323 PEJ 0.8690
324 2MH 0.8688
325 1DU 0.8686
326 YHO 0.8686
327 CP 0.8675
328 ECE 0.8675
329 4JU 0.8627
330 DPR 0.8626
331 282 0.8623
332 HZP 0.8612
333 WBU 0.8612
334 HQE 0.8611
335 PCR 0.8610
336 URF 0.8608
337 25R 0.8604
338 LG4 0.8600
339 PXY 0.8590
340 PLQ 0.8570
341 3SY 0.8565
342 DA1 0.8560
Ligand no: 2; Ligand: ZGL; Similar ligands found: 297
No: Ligand Similarity coefficient
1 AKG 1.0000
2 OGA 0.9984
3 2HG 0.9964
4 S2G 0.9853
5 2IT 0.9729
6 9ON 0.9658
7 2FT 0.9581
8 3PG 0.9554
9 TLA 0.9547
10 GUA 0.9546
11 8GL 0.9545
12 MLT 0.9481
13 OKG 0.9463
14 HIS 0.9459
15 PAC 0.9445
16 HCI 0.9435
17 SRT 0.9415
18 9X6 0.9402
19 LMR 0.9400
20 0VT 0.9374
21 HG3 0.9365
22 PZI 0.9337
23 DAL DAL 0.9335
24 QY9 0.9335
25 IXW 0.9322
26 DZA 0.9321
27 PEP 0.9315
28 HHI 0.9310
29 DHI 0.9310
30 DAS 0.9290
31 SPA 0.9283
32 MED 0.9275
33 GZ3 0.9271
34 BNF 0.9270
35 OSE 0.9269
36 OAA 0.9266
37 SIN 0.9264
38 6JN 0.9258
39 OEG 0.9240
40 SEP 0.9238
41 MET 0.9237
42 NF3 0.9229
43 PGA 0.9217
44 J0Z 0.9216
45 3YP 0.9215
46 MUC 0.9211
47 HZP 0.9211
48 AT3 0.9209
49 FOC 0.9204
50 LYS 0.9198
51 G3H 0.9196
52 G3P 0.9195
53 3LR 0.9189
54 TEO 0.9188
55 SPV 0.9187
56 URO 0.9186
57 ONL 0.9184
58 ORN 0.9182
59 CCD 0.9182
60 ASP 0.9182
61 1GP 0.9172
62 COI 0.9170
63 R2P 0.9168
64 N6C 0.9167
65 0L1 0.9166
66 HPN 0.9164
67 E4P 0.9163
68 CCE 0.9162
69 3OM 0.9158
70 PO6 0.9156
71 DLY 0.9155
72 APG 0.9142
73 650 0.9140
74 XLS 0.9136
75 PHE 0.9133
76 RUJ 0.9133
77 ACH 0.9132
78 3HG 0.9128
79 SHO 0.9128
80 GPJ 0.9127
81 LYN 0.9125
82 XYL 0.9125
83 13P 0.9124
84 RMN 0.9123
85 6NA 0.9118
86 HPV 0.9114
87 IP8 0.9111
88 LEU 0.9111
89 AG2 0.9108
90 KTA 0.9106
91 URS 0.9103
92 MZT 0.9102
93 FUM 0.9099
94 HSO 0.9098
95 RTK 0.9094
96 129 0.9092
97 173 0.9089
98 HTX 0.9087
99 URP 0.9085
100 PPY 0.9084
101 HY1 0.9082
102 4LR 0.9077
103 7N0 0.9077
104 X1S 0.9075
105 0V5 0.9072
106 2PG 0.9068
107 RAT 0.9067
108 RNT 0.9066
109 OEM 0.9061
110 3PP 0.9057
111 AOS 0.9056
112 PPR 0.9052
113 TAR 0.9048
114 PEQ 0.9045
115 BHU 0.9043
116 TPO 0.9041
117 K6H 0.9041
118 DQY 0.9038
119 O45 0.9034
120 I4B 0.9031
121 PMF 0.9031
122 3HP 0.9027
123 SKG 0.9024
124 9SE 0.9023
125 2RH 0.9023
126 PSE 0.9017
127 4MV 0.9015
128 ASN 0.9014
129 LFC 0.9012
130 CXP 0.9009
131 CHH 0.9008
132 CFI 0.9007
133 3OC 0.9007
134 8EW 0.9001
135 SAF 0.8998
136 DHS 0.8995
137 HX2 0.8991
138 2EH 0.8987
139 J9T 0.8985
140 HSM 0.8983
141 ACA 0.8983
142 MAH 0.8981
143 DPN 0.8979
144 JYD 0.8979
145 HL5 0.8978
146 BHH 0.8976
147 8SZ 0.8973
148 HSE 0.8968
149 TIH 0.8967
150 RNS 0.8965
151 6XA 0.8963
152 41K 0.8963
153 SHV 0.8961
154 R9M 0.8961
155 OOG 0.8960
156 VKC 0.8959
157 RBL 0.8958
158 FK8 0.8954
159 NFA 0.8954
160 PIM 0.8953
161 PSJ 0.8947
162 HL4 0.8945
163 268 0.8944
164 S8V 0.8942
165 NLE 0.8939
166 GP9 0.8938
167 FOM 0.8937
168 NLP 0.8932
169 PGH 0.8930
170 GLY GLY 0.8928
171 NCT 0.8926
172 PC 0.8925
173 IVL 0.8925
174 S2P 0.8920
175 PBA 0.8917
176 3SL 0.8916
177 IZC 0.8915
178 98J 0.8915
179 MD0 0.8914
180 R67 0.8911
181 PG0 0.8909
182 CXF 0.8907
183 LUQ 0.8905
184 GPF 0.8903
185 1BN 0.8902
186 SKM 0.8898
187 SHI 0.8896
188 CYX 0.8895
189 AEG 0.8893
190 152 0.8890
191 SME 0.8889
192 N4B 0.8885
193 M3P 0.8883
194 DS0 0.8880
195 HFA 0.8880
196 GOJ 0.8876
197 QFJ 0.8872
198 TAG 0.8870
199 MXN 0.8869
200 B3U 0.8868
201 MHN 0.8864
202 1X4 0.8863
203 1DJ 0.8863
204 FEH 0.8862
205 BNS 0.8861
206 OCT 0.8860
207 M44 0.8855
208 DHM 0.8852
209 M74 0.8851
210 SOR 0.8851
211 9X7 0.8847
212 ONH 0.8846
213 HGA 0.8842
214 HIO 0.8839
215 FBM 0.8835
216 MSE 0.8830
217 RB5 0.8825
218 HE2 0.8824
219 1KA 0.8822
220 LT1 0.8822
221 FUD 0.8821
222 2AL 0.8819
223 3OL 0.8817
224 RP3 0.8814
225 IOM 0.8809
226 CAX 0.8806
227 KDG 0.8804
228 3MV 0.8802
229 1P3 0.8802
230 TZL 0.8799
231 ZBT 0.8799
232 GAB 0.8796
233 Q03 0.8789
234 49F 0.8789
235 BHO 0.8784
236 PLU 0.8782
237 NMH 0.8781
238 M45 0.8777
239 3HB 0.8776
240 GVM 0.8775
241 H95 0.8769
242 G2H 0.8769
243 LTL 0.8766
244 KVV 0.8762
245 ICF 0.8761
246 CMS 0.8760
247 NMG 0.8760
248 LNO 0.8753
249 PBC 0.8752
250 2BX 0.8741
251 53C 0.8736
252 AHN 0.8736
253 XXG 0.8733
254 AL0 0.8728
255 MPJ 0.8720
256 GLO 0.8710
257 K34 0.8709
258 M3H 0.8708
259 SKJ 0.8704
260 GCO 0.8701
261 LLQ 0.8701
262 RLG 0.8699
263 MEQ 0.8692
264 XSP 0.8690
265 LLH 0.8687
266 MTL 0.8687
267 KPC 0.8687
268 BHL 0.8683
269 FLC 0.8682
270 3AL 0.8675
271 FF3 0.8674
272 1SA 0.8674
273 O8Y 0.8672
274 ILE 0.8671
275 A29 0.8671
276 3AB 0.8658
277 P22 0.8652
278 PJL 0.8648
279 4PN 0.8645
280 UY7 0.8635
281 NIZ 0.8635
282 4WK 0.8615
283 SR1 0.8614
284 1SH 0.8611
285 SHF 0.8611
286 51F 0.8610
287 449 0.8601
288 XBT 0.8595
289 4CS 0.8592
290 API 0.8586
291 40E 0.8584
292 CIT 0.8578
293 9YL 0.8575
294 A09 0.8568
295 SYC 0.8567
296 I1E 0.8563
297 MPH 0.8540
Similar Binding Sites (Proteins are less than 50% similar to leader)
Pocket No.: 1; Query (leader) PDB : 7AGO; Ligand: ZGL; 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: 7ago.bio1) has 11 residues
No: Leader PDB Ligand Sequence Similarity
Pocket No.: 2; Query (leader) PDB : 7AGO; Ligand: ALA; 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: 7ago.bio1) has 5 residues
No: Leader PDB Ligand Sequence Similarity
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