Receptor
PDB id Resolution Class Description Source Keywords
4PXC 1.89 Å EC: 3.5.3.19 THE CRYSTAL STRUCTURE OF ATUAH IN COMPLEX WITH (S)-HYDROXYGL ARABIDOPSIS THALIANA AMIDASE HYDANTOINASE CARBAMOYLASE HYDROLASE
Ref.: STRUCTURAL INSIGHTS INTO THE SUBSTRATE SPECIFICITY (S)-UREIDOGLYCOLATE AMIDOHYDROLASE AND ITS COMPARIS ALLANTOATE AMIDOHYDROLASE J.MOL.BIOL. 2014
Ligand
Ligand Chain:Residue Validity Ligand Warnings Binding Data NGL Viewer Molecular Weight (Da) Formula SMILES
MN A:501;
B:502;
A:502;
B:501;
 Part of Protein;
Part of Protein;
Part of Protein;
Part of Protein;
 none;
none;
none;
none;
 submit data
54.938 Mn [Mn+2...
HGY A:503;
B:503;
 Valid;
Valid;
 none;
none;
 submit data
91.066 C2 H5 N O3 [C@H]...
View in 3D viewer
90% Homology Family
Leader
PDB id Resolution Class Description Source Keywords
4PXE 1.45 Å EC: 3.5.3.19 THE CRYSTAL STRUCTURE OF ATUAH IN COMPLEX WITH GLYOXYLATE ARABIDOPSIS THALIANA AMIDASE HYDANTOINASE CARBARMOYLASE HYDROLASE
Ref.: STRUCTURAL INSIGHTS INTO THE SUBSTRATE SPECIFICITY (S)-UREIDOGLYCOLATE AMIDOHYDROLASE AND ITS COMPARIS ALLANTOATE AMIDOHYDROLASE J.MOL.BIOL. 2014
Members (3)
No: PDB id Binding Data Representative ligand Formula Smiles
The Class containing this family consists of a total of 2 families.
1 4PXE - GLV C2 H2 O3 C(=O)C(=O)....
2 4PXC - HGY C2 H5 N O3 [C@H](C(=O....
3 4PXB - UGC C3 H6 N2 O4 [C@H](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 2 families.
1 4PXE - GLV C2 H2 O3 C(=O)C(=O)....
2 4PXC - HGY C2 H5 N O3 [C@H](C(=O....
3 4PXB - UGC C3 H6 N2 O4 [C@H](C(=O....
50% Homology Family (3)
No: PDB id Binding Data Representative ligand Formula Smiles
The Class containing this family consists of a total of 2 families.
1 4PXE - GLV C2 H2 O3 C(=O)C(=O)....
2 4PXC - HGY C2 H5 N O3 [C@H](C(=O....
3 4PXB - UGC C3 H6 N2 O4 [C@H](C(=O....
Polypharmacology
Similar Ligands (2D)
Ligand no: 1; Ligand: HGY; Similar ligands found: 11
No: Ligand ECFP6 Tc MDL keys Tc
1 HGY 1 1
2 ALA 0.5625 0.666667
3 DAL 0.5625 0.666667
4 THR 0.526316 0.625
5 ALO 0.526316 0.625
6 AHB 0.47619 0.633333
7 VAL 0.473684 0.608696
8 AKB 0.473684 0.6
9 ASN 0.428571 0.6
10 UGC 0.409091 0.666667
11 OXM 0.4 0.904762
Similar Ligands (3D)
Ligand no: 1; Ligand: HGY; Similar ligands found: 320
No: Ligand Similarity coefficient
1 OXL 1.0000
2 5Y9 1.0000
3 HBR 1.0000
4 HBS 1.0000
5 ALQ 1.0000
6 NAK 1.0000
7 NIS 1.0000
8 BUO 1.0000
9 PYM 1.0000
10 2OP 1.0000
11 OXD 1.0000
12 PYR 1.0000
13 LAC 1.0000
14 03W 0.9904
15 DGY 0.9904
16 HIU 0.9875
17 TF4 0.9847
18 AOA 0.9782
19 1AC 0.9740
20 C2N 0.9734
21 KG7 0.9724
22 3OH 0.9707
23 DXX 0.9701
24 2KT 0.9696
25 FAH 0.9689
26 GLV 0.9671
27 BUQ 0.9669
28 PPI 0.9664
29 MB3 0.9664
30 GLY 0.9660
31 SAR 0.9658
32 DCY 0.9656
33 GOA 0.9651
34 DE2 0.9648
35 BAL 0.9642
36 AGU 0.9631
37 HAE 0.9630
38 3PY 0.9620
39 F50 0.9616
40 SER 0.9607
41 AKR 0.9597
42 3MT 0.9593
43 KSW 0.9592
44 B20 0.9587
45 NIE 0.9586
46 BNZ 0.9585
47 HVB 0.9581
48 0PY 0.9580
49 BAQ 0.9577
50 3ZS 0.9573
51 DMI 0.9570
52 ALF 0.9562
53 BU4 0.9560
54 GBL 0.9542
55 F3V 0.9539
56 P1R 0.9534
57 DTI 0.9523
58 NHY 0.9522
59 PHZ 0.9517
60 MMZ 0.9515
61 AMT 0.9508
62 DSN 0.9500
63 CYS 0.9498
64 4AX 0.9486
65 3TR 0.9485
66 BUA 0.9484
67 HSL 0.9476
68 3BB 0.9476
69 2AI 0.9473
70 GOL 0.9467
71 TAY 0.9463
72 MGX 0.9463
73 MLA 0.9462
74 1CB 0.9459
75 HOW 0.9453
76 GXV 0.9451
77 3HR 0.9450
78 PPF 0.9447
79 NMU 0.9445
80 ATQ 0.9443
81 61G 0.9442
82 2A3 0.9438
83 6SP 0.9431
84 1MZ 0.9426
85 4MZ 0.9426
86 TSZ 0.9423
87 HUI 0.9421
88 MR3 0.9421
89 C5J 0.9419
90 IPH 0.9412
91 HLT 0.9410
92 BRP 0.9408
93 HYN 0.9403
94 2MZ 0.9397
95 9A4 0.9395
96 MLI 0.9393
97 R3W 0.9391
98 ATO 0.9385
99 3GR 0.9382
100 L60 0.9382
101 2RA 0.9380
102 MLM 0.9379
103 2A1 0.9377
104 PZO 0.9375
105 9PO 0.9370
106 5MP 0.9368
107 2IM 0.9365
108 7EX 0.9354
109 3ZQ 0.9350
110 BUB 0.9348
111 MEU 0.9345
112 ABA 0.9342
113 TRI 0.9339
114 MZY 0.9332
115 E60 0.9329
116 MTG 0.9325
117 PXO 0.9324
118 JZ6 0.9323
119 SMB 0.9322
120 24T 0.9318
121 A2Q 0.9317
122 LGA 0.9315
123 5KX 0.9314
124 HVK 0.9313
125 HUH 0.9304
126 J3K 0.9302
127 HRZ 0.9301
128 CAQ 0.9301
129 93B 0.9300
130 IMD 0.9298
131 EGD 0.9298
132 2AP 0.9294
133 23W 0.9293
134 3AP 0.9290
135 40O 0.9284
136 MBN 0.9278
137 HV2 0.9271
138 V1L 0.9270
139 WOT 0.9269
140 3CL 0.9267
141 4XX 0.9266
142 4AP 0.9265
143 76X 0.9263
144 L89 0.9262
145 93Q 0.9256
146 ES3 0.9256
147 39J 0.9255
148 XAP 0.9254
149 FP2 0.9243
150 CP2 0.9241
151 1AN 0.9241
152 JZ0 0.9239
153 DMG 0.9237
154 A3B 0.9235
155 2AF 0.9231
156 CHT 0.9229
157 AAE 0.9228
158 938 0.9226
159 ETF 0.9224
160 XIX 0.9221
161 OXE 0.9220
162 J1Z 0.9219
163 CYH 0.9217
164 BXA 0.9213
165 92Z 0.9212
166 GXE 0.9203
167 8LG 0.9199
168 1BP 0.9196
169 PYZ 0.9189
170 CXL 0.9188
171 BYZ 0.9187
172 MZ0 0.9178
173 192 0.9168
174 SLP 0.9162
175 BEW 0.9158
176 2CH 0.9154
177 HAI 0.9148
178 HTS 0.9145
179 2HA 0.9139
180 DTL 0.9131
181 TCV 0.9123
182 HHN 0.9120
183 TTO 0.9118
184 DBB 0.9112
185 LER 0.9104
186 MRY 0.9103
187 PIH 0.9103
188 HGW 0.9101
189 8CL 0.9094
190 PRS 0.9092
191 FMS 0.9071
192 YAN 0.9069
193 H3M 0.9069
194 PRI 0.9064
195 TFB 0.9064
196 6X8 0.9060
197 BAE 0.9044
198 CEJ 0.9044
199 P2D 0.9039
200 280 0.9038
201 PRO 0.9035
202 25T 0.9026
203 TMZ 0.9026
204 CYT 0.9024
205 NVI 0.9021
206 LG3 0.9019
207 FJO 0.9018
208 HSW 0.9017
209 RCO 0.9016
210 8GF 0.9008
211 ETM 0.9006
212 DUC 0.8997
213 FOA 0.8994
214 2PC 0.8990
215 TAU 0.8986
216 IVA 0.8985
217 HPY 0.8985
218 URA 0.8978
219 CRS 0.8974
220 MMU 0.8970
221 26D 0.8968
222 LG5 0.8965
223 285 0.8964
224 8X3 0.8963
225 VSO 0.8941
226 3CH 0.8940
227 JBN 0.8938
228 BVF 0.8938
229 TMT 0.8937
230 1DH 0.8936
231 PYC 0.8932
232 278 0.8927
233 CIG 0.8914
234 2HE 0.8914
235 JAB 0.8908
236 TFS 0.8905
237 MAK 0.8895
238 DCD 0.8895
239 MSF 0.8890
240 KIV 0.8888
241 TAN 0.8875
242 ODV 0.8874
243 BVC 0.8872
244 POA 0.8852
245 PCR 0.8851
246 DPR 0.8843
247 PXY 0.8838
248 265 0.8838
249 ICN 0.8836
250 PAE 0.8830
251 HQE 0.8826
252 HEW 0.8823
253 DTU 0.8822
254 LG4 0.8822
255 DAB 0.8821
256 BVG 0.8821
257 B3R 0.8817
258 25R 0.8810
259 TP5 0.8809
260 M3T 0.8803
261 RSF 0.8800
262 HVQ 0.8800
263 2MH 0.8798
264 PLQ 0.8793
265 FCN 0.8790
266 4CH 0.8778
267 NCM 0.8777
268 HGQ 0.8775
269 YHO 0.8773
270 FPN 0.8768
271 2EZ 0.8764
272 DA1 0.8762
273 1MC 0.8756
274 HCS 0.8753
275 284 0.8749
276 RP7 0.8744
277 SYN 0.8742
278 CNH 0.8737
279 TB0 0.8737
280 4JN 0.8734
281 4H2 0.8731
282 ICP 0.8728
283 ITU 0.8726
284 HHQ 0.8725
285 PUT 0.8721
286 MCT 0.8714
287 MWM 0.8704
288 CP 0.8703
289 4HO 0.8701
290 5MH 0.8695
291 BML 0.8694
292 4JU 0.8692
293 1DU 0.8690
294 ECE 0.8686
295 1XX 0.8676
296 ICC 0.8671
297 JZ2 0.8671
298 4DX 0.8663
299 IDH 0.8660
300 8FH 0.8658
301 URF 0.8654
302 MZG 0.8652
303 A1U 0.8646
304 MMQ 0.8640
305 WBU 0.8637
306 MWJ 0.8635
307 NEQ 0.8635
308 TDR 0.8633
309 282 0.8633
310 FPY 0.8632
311 5UC 0.8631
312 27Y 0.8620
313 SMV 0.8610
314 FLM 0.8596
315 MTD 0.8572
316 3MC 0.8568
317 ACM 0.8563
318 ABN 0.8553
319 OSM 0.8538
320 HBX 0.8508
Similar Binding Sites (Proteins are less than 50% similar to leader)
Pocket No.: 1; Query (leader) PDB : 4PXE; Ligand: GLV; Similar sites found with APoc: 4
This union binding pocket(no: 1) in the query (biounit: 4pxe.bio1) has 12 residues
No: Leader PDB Ligand Sequence Similarity
1 2VL1 GLY GLY 45.3488
2 2VL1 GLY GLY 45.3488
3 4PXD 1AL 48.6683
4 4PXD 1AL 48.6683
Pocket No.: 2; Query (leader) PDB : 4PXE; Ligand: GLV; Similar sites found with APoc: 4
This union binding pocket(no: 2) in the query (biounit: 4pxe.bio1) has 12 residues
No: Leader PDB Ligand Sequence Similarity
1 2VL1 GLY GLY 45.3488
2 2VL1 GLY GLY 45.3488
3 4PXD 1AL 48.6683
4 4PXD 1AL 48.6683
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