Receptor
PDB id Resolution Class Description Source Keywords
1H0C 2.5 Å EC: 2.6.1.44 THE CRYSTAL STRUCTURE OF HUMAN ALANINE:GLYOXYLATE AMINOTRANS HOMO SAPIENS AMINOTRANSFERASE PYRIDOXAL PHOSPHATE TRANSFERASE
Ref.: CRYSTAL STRUCTURE OF ALANINE:GLYOXYLATE AMINOTRANSF THE RELATIONSHIP BETWEEN GENOTYPE AND ENZYMATIC PHE PRIMARY HYPEROXALURIA TYPE 1. J.MOL.BIOL. V. 331 643 2003
Ligand
Ligand Chain:Residue Validity Ligand Warnings Binding Data NGL Viewer Molecular Weight (Da) Formula SMILES
AOA A:1392;
Valid;
none;
submit data
91.066 C2 H5 N O3 C(C(=...
GOL A:1393;
A:1394;
A:1395;
A:1396;
A:1397;
A:1398;
Invalid;
Invalid;
Invalid;
Invalid;
Invalid;
Invalid;
none;
none;
none;
none;
none;
none;
submit data
92.094 C3 H8 O3 C(C(C...
PLP A:1391;
Invalid;
none;
submit data
247.142 C8 H10 N O6 P Cc1c(...
View in 3D viewer
90% Homology Family
Leader
PDB id Resolution Class Description Source Keywords
1H0C 2.5 Å EC: 2.6.1.44 THE CRYSTAL STRUCTURE OF HUMAN ALANINE:GLYOXYLATE AMINOTRANS HOMO SAPIENS AMINOTRANSFERASE PYRIDOXAL PHOSPHATE TRANSFERASE
Ref.: CRYSTAL STRUCTURE OF ALANINE:GLYOXYLATE AMINOTRANSF THE RELATIONSHIP BETWEEN GENOTYPE AND ENZYMATIC PHE PRIMARY HYPEROXALURIA TYPE 1. J.MOL.BIOL. V. 331 643 2003
Members (1)
No: PDB id Binding Data Representative ligand Formula Smiles
The Class containing this family consists of a total of 4 families.
1 1H0C - AOA C2 H5 N O3 C(C(=O)O)O....
70% Homology Family (1)
No: PDB id Binding Data Representative ligand Formula Smiles
The Class containing this family consists of a total of 4 families.
1 1H0C - AOA C2 H5 N O3 C(C(=O)O)O....
50% Homology Family (4)
No: PDB id Binding Data Representative ligand Formula Smiles
The Class containing this family consists of a total of 1 families.
1 1H0C - AOA C2 H5 N O3 C(C(=O)O)O....
2 2HUI - GLV C2 H2 O3 C(=O)C(=O)....
3 2HUU - ALA C3 H7 N O2 C[C@@H](C(....
4 1VJO - PLP C8 H10 N O6 P Cc1c(c(c(c....
Polypharmacology
Similar Ligands (2D)
Ligand no: 1; Ligand: AOA; Similar ligands found: 1
No: Ligand ECFP6 Tc MDL keys Tc
1 AOA 1 1
Similar Ligands (3D)
Ligand no: 1; Ligand: AOA; Similar ligands found: 281
No: Ligand Similarity coefficient
1 BMD 1.0000
2 BAL 0.9995
3 BUA 0.9995
4 BUQ 0.9993
5 3OH 0.9939
6 BU4 0.9865
7 GLY 0.9846
8 ITU 0.9785
9 PPI 0.9784
10 HGY 0.9782
11 PYR 0.9760
12 OXM 0.9751
13 LAC 0.9747
14 GOA 0.9743
15 FAH 0.9741
16 3BB 0.9741
17 SLP 0.9725
18 2OP 0.9724
19 OXL 0.9713
20 MLA 0.9712
21 F3V 0.9709
22 BXO 0.9706
23 HVB 0.9700
24 ALA 0.9696
25 GLV 0.9695
26 NIE 0.9694
27 HBR 0.9689
28 DAL 0.9683
29 HBS 0.9682
30 BUB 0.9678
31 AKR 0.9673
32 SAR 0.9672
33 NAK 0.9652
34 R3W 0.9652
35 MLI 0.9645
36 BUO 0.9641
37 MTG 0.9636
38 ALQ 0.9628
39 ATO 0.9620
40 F50 0.9618
41 PYM 0.9610
42 MSF 0.9592
43 FJO 0.9590
44 OXD 0.9588
45 DXX 0.9585
46 3HR 0.9581
47 61G 0.9573
48 PXO 0.9571
49 NIS 0.9571
50 HAE 0.9563
51 TSZ 0.9560
52 EGD 0.9556
53 MZ0 0.9551
54 SER 0.9542
55 DSN 0.9540
56 2KT 0.9538
57 J3K 0.9537
58 3HL 0.9536
59 GOL 0.9534
60 3PY 0.9532
61 GBL 0.9515
62 ABA 0.9510
63 XAP 0.9504
64 MLM 0.9502
65 BAQ 0.9486
66 C5J 0.9480
67 2RA 0.9474
68 DGY 0.9473
69 03W 0.9473
70 THR 0.9467
71 MTD 0.9464
72 1AC 0.9462
73 DE2 0.9457
74 1CB 0.9452
75 AAE 0.9445
76 HIU 0.9444
77 PRI 0.9442
78 3CL 0.9441
79 NVI 0.9438
80 6SP 0.9437
81 CHT 0.9435
82 2A1 0.9435
83 CYS 0.9430
84 A3B 0.9427
85 ABU 0.9418
86 1BP 0.9416
87 9A4 0.9414
88 DMG 0.9410
89 HV2 0.9406
90 FW5 0.9403
91 2EZ 0.9403
92 DBB 0.9401
93 39J 0.9395
94 BRP 0.9392
95 HUI 0.9386
96 4HA 0.9385
97 MEU 0.9378
98 P2D 0.9373
99 2A3 0.9371
100 BVG 0.9371
101 13D 0.9369
102 NMU 0.9368
103 SMB 0.9367
104 PUT 0.9364
105 SSN 0.9357
106 HVQ 0.9348
107 3GR 0.9348
108 1SP 0.9346
109 NBN 0.9346
110 TF4 0.9343
111 IPU 0.9338
112 CP2 0.9334
113 KG7 0.9316
114 DSS 0.9316
115 3ZS 0.9314
116 DCY 0.9313
117 SGL 0.9309
118 PPF 0.9307
119 C2N 0.9293
120 BXA 0.9293
121 TAN 0.9292
122 CNH 0.9292
123 ATQ 0.9283
124 BVC 0.9279
125 2HA 0.9277
126 IPH 0.9275
127 ETM 0.9262
128 PE9 0.9261
129 NHY 0.9259
130 IVA 0.9255
131 3SS 0.9247
132 CRD 0.9245
133 MGX 0.9241
134 8X3 0.9241
135 CEJ 0.9240
136 ETF 0.9239
137 GXV 0.9218
138 TAU 0.9209
139 BTL 0.9205
140 BBU 0.9202
141 LER 0.9198
142 VSO 0.9197
143 D2P 0.9194
144 XPO 0.9194
145 TAY 0.9189
146 VX 0.9186
147 KIV 0.9180
148 2IM 0.9178
149 LEA 0.9174
150 COM 0.9173
151 2HE 0.9173
152 AGU 0.9171
153 ETX 0.9171
154 7EX 0.9171
155 AML 0.9157
156 DTL 0.9156
157 PYZ 0.9153
158 POA 0.9140
159 P7I 0.9138
160 L60 0.9136
161 TB0 0.9131
162 BYZ 0.9127
163 CXL 0.9126
164 4MZ 0.9125
165 2MZ 0.9118
166 A2Q 0.9115
167 3MT 0.9113
168 3TR 0.9110
169 1MZ 0.9109
170 192 0.9107
171 EFS 0.9106
172 PRO 0.9105
173 2PC 0.9105
174 HSW 0.9104
175 AMT 0.9104
176 MRY 0.9103
177 5KX 0.9098
178 SIN 0.9096
179 MB3 0.9096
180 5MP 0.9093
181 SYN 0.9091
182 TFB 0.9082
183 HOW 0.9081
184 9A7 0.9080
185 273 0.9073
186 2AI 0.9068
187 VAL 0.9063
188 JZ6 0.9059
189 ES3 0.9059
190 9SB 0.9052
191 MR3 0.9047
192 0CL 0.9043
193 DCL 0.9041
194 OSM 0.9037
195 IHG 0.9034
196 HAI 0.9027
197 APY 0.9025
198 KSW 0.9019
199 5Y9 0.9008
200 PAE 0.9003
201 HSM 0.8999
202 BAE 0.8998
203 HSL 0.8995
204 CYH 0.8995
205 ALO 0.8991
206 A8C 0.8989
207 MZY 0.8987
208 MPD 0.8981
209 HLT 0.8974
210 PRS 0.8972
211 9YL 0.8967
212 DPR 0.8963
213 23W 0.8962
214 AKB 0.8955
215 AMC 0.8955
216 MMQ 0.8943
217 CP 0.8940
218 HDA 0.8939
219 FCN 0.8937
220 TCV 0.8930
221 MAE 0.8922
222 MMZ 0.8919
223 DTT 0.8901
224 24T 0.8894
225 282 0.8888
226 4AX 0.8884
227 HSE 0.8882
228 IQ0 0.8881
229 EDO 0.8879
230 3AP 0.8867
231 SAT 0.8864
232 HX2 0.8855
233 MBN 0.8855
234 TFS 0.8854
235 1DU 0.8852
236 XIX 0.8849
237 2AP 0.8848
238 HZP 0.8846
239 H3M 0.8845
240 FMS 0.8844
241 WOT 0.8842
242 4AP 0.8837
243 TB6 0.8829
244 JBN 0.8829
245 HRZ 0.8829
246 9PO 0.8827
247 BRJ 0.8827
248 HVK 0.8824
249 DTU 0.8823
250 HYN 0.8817
251 LGA 0.8812
252 8FH 0.8811
253 NOE 0.8806
254 9X7 0.8802
255 S0H 0.8794
256 AC5 0.8789
257 69O 0.8788
258 T2C 0.8775
259 ICN 0.8771
260 40O 0.8769
261 NMG 0.8757
262 THE 0.8746
263 ODV 0.8742
264 FUM 0.8741
265 OPE 0.8718
266 HCS 0.8709
267 285 0.8700
268 7VD 0.8692
269 1KA 0.8692
270 NCM 0.8687
271 JAB 0.8683
272 EDG 0.8665
273 NVA 0.8630
274 OAA 0.8612
275 4MV 0.8602
276 03S 0.8587
277 R2B 0.8584
278 2HP 0.8562
279 DZZ 0.8543
280 R1X 0.8538
281 ASN 0.8527
Similar Binding Sites (Proteins are less than 50% similar to leader)
Pocket No.: 1; Query (leader) PDB : 1H0C; Ligand: AOA; 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: 1h0c.bio1) has 11 residues
No: Leader PDB Ligand Sequence Similarity
Pocket No.: 2; Query (leader) PDB : 1H0C; Ligand: AOA; 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: 1h0c.bio1) has 11 residues
No: Leader PDB Ligand Sequence Similarity
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