Receptor
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
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...
GLV A:503;
B:503;
 Valid;
Valid;
 none;
none;
 submit data
74.035 C2 H2 O3 C(=O)...
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: GLV; Similar ligands found: 5
No: Ligand ECFP6 Tc MDL keys Tc
1 GLV 1 1
2 MAE 0.5 0.666667
3 FUM 0.5 0.666667
4 OXD 0.416667 0.75
5 CCU 0.411765 0.666667
Similar Ligands (3D)
Ligand no: 1; Ligand: GLV; Similar ligands found: 247
No: Ligand Similarity coefficient
1 PPI 1.0261
2 GLY 1.0257
3 NHY 1.0000
4 HAE 1.0000
5 MGX 1.0000
6 HVB 1.0000
7 AGU 1.0000
8 R3W 1.0000
9 NMU 1.0000
10 TSZ 1.0000
11 61G 1.0000
12 AKR 1.0000
13 F50 1.0000
14 NIE 1.0000
15 J3K 1.0000
16 ALA 1.0000
17 2A1 1.0000
18 2A3 1.0000
19 F3V 1.0000
20 FAH 1.0000
21 GOA 1.0000
22 ATO 0.9965
23 BXA 0.9915
24 1BP 0.9885
25 BRP 0.9870
26 CP2 0.9773
27 PXO 0.9773
28 GOL 0.9768
29 NIS 0.9760
30 TCV 0.9734
31 LAC 0.9704
32 AOA 0.9695
33 OXL 0.9690
34 OXM 0.9688
35 PYR 0.9687
36 BUA 0.9677
37 2OP 0.9676
38 PYM 0.9675
39 3OH 0.9672
40 HGY 0.9671
41 GXV 0.9670
42 3TR 0.9670
43 BU4 0.9662
44 2AI 0.9662
45 DAL 0.9655
46 HOW 0.9641
47 GBL 0.9638
48 NAK 0.9637
49 1MZ 0.9636
50 4MZ 0.9636
51 ALQ 0.9631
52 6SP 0.9630
53 HBS 0.9630
54 2MZ 0.9626
55 BUO 0.9625
56 5MP 0.9624
57 MR3 0.9619
58 HBR 0.9614
59 3GR 0.9609
60 BAQ 0.9602
61 3MT 0.9597
62 1CB 0.9585
63 MZY 0.9584
64 9A4 0.9580
65 SAR 0.9570
66 5KX 0.9568
67 TRI 0.9567
68 AF3 0.9565
69 ACT 0.9564
70 BAL 0.9563
71 ACM 0.9554
72 JZ6 0.9552
73 SEY 0.9537
74 5Y9 0.9532
75 ETF 0.9527
76 MEU 0.9526
77 ABA 0.9526
78 IMD 0.9523
79 BUQ 0.9523
80 AMT 0.9521
81 BMD 0.9519
82 2HA 0.9517
83 EGD 0.9511
84 AXO 0.9509
85 EDO 0.9506
86 PZO 0.9501
87 MMU 0.9501
88 HUH 0.9493
89 3ZS 0.9486
90 3CL 0.9476
91 OSM 0.9465
92 BYZ 0.9457
93 ATQ 0.9456
94 NOE 0.9434
95 ES3 0.9426
96 TAN 0.9413
97 CRD 0.9411
98 XAP 0.9399
99 CNH 0.9398
100 78T 0.9383
101 ALF 0.9374
102 CYS 0.9367
103 IPA 0.9363
104 MTG 0.9354
105 BEF 0.9352
106 BUB 0.9351
107 SLP 0.9345
108 BRJ 0.9341
109 2PO 0.9341
110 PYZ 0.9330
111 P1R 0.9321
112 HSW 0.9320
113 TB0 0.9319
114 VSO 0.9318
115 9A7 0.9316
116 TF4 0.9301
117 HYN 0.9298
118 3BB 0.9292
119 BNZ 0.9289
120 XIX 0.9281
121 0PY 0.9280
122 13D 0.9269
123 QPT 0.9262
124 B20 0.9261
125 KCS 0.9256
126 D2P 0.9233
127 0CL 0.9230
128 PHZ 0.9225
129 MZ0 0.9225
130 KG7 0.9216
131 ITU 0.9178
132 DE2 0.9170
133 DXX 0.9168
134 1AC 0.9162
135 SER 0.9152
136 2RA 0.9147
137 DSN 0.9139
138 3BR 0.9136
139 MB3 0.9126
140 A3B 0.9126
141 DBB 0.9126
142 FW5 0.9123
143 2KT 0.9121
144 3PY 0.9119
145 7EX 0.9117
146 25T 0.9114
147 NVI 0.9113
148 BXO 0.9101
149 24T 0.9101
150 THR 0.9099
151 DGY 0.9094
152 03W 0.9094
153 DMI 0.9086
154 HUI 0.9083
155 CHT 0.9082
156 HIU 0.9076
157 MSF 0.9065
158 CEJ 0.9061
159 MMZ 0.9061
160 MCH 0.9049
161 9PO 0.9047
162 CXL 0.9046
163 CYH 0.9046
164 MMQ 0.9043
165 DCE 0.9042
166 A2Q 0.9036
167 HVK 0.9035
168 HSL 0.9030
169 HRZ 0.9030
170 LGA 0.9030
171 2AP 0.9028
172 1SP 0.9026
173 HAI 0.9023
174 V1L 0.9018
175 DTI 0.9018
176 PRI 0.9016
177 BVG 0.9005
178 BVC 0.9001
179 8FH 0.8997
180 L60 0.8995
181 IPH 0.8991
182 FJO 0.8988
183 3AP 0.8984
184 MBN 0.8984
185 39J 0.8984
186 4AP 0.8982
187 VN4 0.8980
188 4AX 0.8980
189 1DH 0.8980
190 2IM 0.8978
191 MLI 0.8978
192 MLA 0.8978
193 E60 0.8977
194 SMB 0.8975
195 DMG 0.8973
196 HV2 0.8971
197 ETX 0.8957
198 MLM 0.8957
199 C2N 0.8955
200 PIH 0.8954
201 PUT 0.8950
202 DCY 0.8945
203 C5J 0.8943
204 2EZ 0.8941
205 WOT 0.8941
206 93B 0.8940
207 TMO 0.8939
208 KSW 0.8938
209 03S 0.8935
210 ETM 0.8934
211 MTD 0.8934
212 BTL 0.8923
213 GXE 0.8910
214 TAY 0.8909
215 XPO 0.8904
216 PPF 0.8898
217 HVQ 0.8891
218 8CL 0.8885
219 AAE 0.8860
220 TAU 0.8857
221 HHN 0.8850
222 3HR 0.8848
223 FPO 0.8826
224 2HP 0.8826
225 HLT 0.8818
226 3HL 0.8817
227 GB 0.8808
228 8X3 0.8806
229 TTO 0.8806
230 TBU 0.8803
231 IVA 0.8799
232 FUS 0.8787
233 HGW 0.8781
234 COM 0.8758
235 PO4 0.8757
236 2HE 0.8755
237 BF4 0.8745
238 DSS 0.8739
239 POA 0.8732
240 2PA 0.8731
241 9SB 0.8702
242 ISU 0.8701
243 WO6 0.8695
244 P2D 0.8666
245 9XN 0.8660
246 280 0.8597
247 EFS 0.8545
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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