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Receptor
PDB id Resolution Class Description Source Keywords
4B7E 2.5 Å EC: 1.14.11.30 FACTOR INHIBITING HIF-1 ALPHA IN COMPLEX WITH CONSENSUS ANKY DOMAIN-LEU PEPTIDE (20-MER) HOMO SAPIENS OXIDOREDUCTASE-PEPTIDE COMPLEX OXIDOREDUCTASE NON-HEME IROXOGLUTARATE DIOXYGENASE OXYGENASE DNA-BINDING METAL-BITRANSCRIPTION HELIX-LOOP-HELIX-BETA DSBH FACIAL TRIAD ASPARAGINYL/ ASPARTYL HYDROXYLASE TRANSCRIPTION AND EPIGENREGULATION SIGNALING ARD BETA-HYDROXYLATION TRANSCRIPTIACTIVATOR/INHIBITOR
Ref.: SUBSTRATE SELECTIVITY ANALYSES OF FACTOR INHIBITING HYPOXIA-INDUCIBLE FACTOR. ANGEW. CHEM. INT. ED. ENGL. V. 52 1700 2013
Ligand
Ligand Chain:Residue Validity Ligand Warnings Binding Data NGL Viewer Molecular Weight (Da) Formula SMILES
OGA A:601;
Valid;
none;
submit data
147.086 C4 H5 N O5 C(C(=...
SO4 A:604;
A:602;
A:605;
A:606;
A:603;
Invalid;
Invalid;
Invalid;
Invalid;
Invalid;
none;
none;
none;
none;
none;
submit data
96.063 O4 S [O-]S...
GOL A:608;
A:607;
A:609;
A:610;
Invalid;
Invalid;
Invalid;
Invalid;
none;
none;
none;
none;
submit data
92.094 C3 H8 O3 C(C(C...
ZN A:501;
Part of Protein;
none;
submit data
65.409 Zn [Zn+2...
View in 3D viewer
90% Homology Family
Leader
PDB id Resolution Class Description Source Keywords
4B7E 2.5 Å EC: 1.14.11.30 FACTOR INHIBITING HIF-1 ALPHA IN COMPLEX WITH CONSENSUS ANKY DOMAIN-LEU PEPTIDE (20-MER) HOMO SAPIENS OXIDOREDUCTASE-PEPTIDE COMPLEX OXIDOREDUCTASE NON-HEME IROXOGLUTARATE DIOXYGENASE OXYGENASE DNA-BINDING METAL-BITRANSCRIPTION HELIX-LOOP-HELIX-BETA DSBH FACIAL TRIAD ASPARAGINYL/ ASPARTYL HYDROXYLASE TRANSCRIPTION AND EPIGENREGULATION SIGNALING ARD BETA-HYDROXYLATION TRANSCRIPTIACTIVATOR/INHIBITOR
Ref.: SUBSTRATE SELECTIVITY ANALYSES OF FACTOR INHIBITING HYPOXIA-INDUCIBLE FACTOR. ANGEW. CHEM. INT. ED. ENGL. V. 52 1700 2013
Members (1)
No: PDB id Binding Data Representative ligand Formula Smiles
The Class containing this family consists of a total of 2 families.
1 4B7E - OGA C4 H5 N O5 C(C(=O)O)N....
70% 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 4B7E - OGA C4 H5 N O5 C(C(=O)O)N....
2 2Y0I - AKG C5 H6 O5 C(CC(=O)O)....
3 2XUM - OGA C4 H5 N O5 C(C(=O)O)N....
4 4B7K - OGA C4 H5 N O5 C(C(=O)O)N....
50% Homology Family (5)
No: PDB id Binding Data Representative ligand Formula Smiles
The Class containing this family consists of a total of 1 families.
1 3P3N - AKG C5 H6 O5 C(CC(=O)O)....
2 4B7E - OGA C4 H5 N O5 C(C(=O)O)N....
3 2Y0I - AKG C5 H6 O5 C(CC(=O)O)....
4 2XUM - OGA C4 H5 N O5 C(C(=O)O)N....
5 4B7K - OGA C4 H5 N O5 C(C(=O)O)N....
Polypharmacology
Similar Ligands
Ligand no: 1; Ligand: OGA; Similar ligands found: 2
No: Ligand ECFP6 Tc MDL keys Tc
1 OGA 1 1
2 AAC 0.461538 0.827586
Similar Binding Sites (Proteins are less than 50% similar to leader)
Pocket No.: 1; Query (leader) PDB : 4B7E; Ligand: OGA; Similar sites found with APoc: 216
This union binding pocket(no: 1) in the query (biounit: 4b7e.bio1) has 13 residues
No: Leader PDB Ligand Sequence Similarity
1 3H4V DVP 1.04167
2 1ZXM ANP 1.43266
3 3NNF AKG 1.45349
4 2NPA MMB 1.48148
5 2C1Q BTN 1.5873
6 5YBL AKG 1.59236
7 1UNB AKG 1.60772
8 1UNB PN1 1.60772
9 5KR7 6X9 1.7192
10 5Y4K AKR 1.7192
11 2YPO PHE 1.7192
12 3B1Q NOS 1.84049
13 5ZM4 9FU 1.96078
14 5ZM4 AKG 1.96078
15 5EQU 5R6 1.96721
16 5EQU AKG 1.96721
17 5FWE OGA 2.00573
18 5F3I 5UJ 2.00573
19 4IGQ THR M3L GLN 2.00573
20 5LY2 OGA 2.00573
21 2P5B OGA 2.00573
22 2Q8E OGA 2.00573
23 2OS2 OGA 2.00573
24 4IGQ OGA 2.00573
25 2YBP 2HG 2.00573
26 6H8P OGA 2.00573
27 1GP6 QUE 2.00573
28 1GP6 SIN 2.00573
29 1GP6 DH2 2.00573
30 1QZR ANP 2.00573
31 3ZDS M8O 2.00573
32 3ZDS HMQ 2.00573
33 3ZDS OMD 2.00573
34 6EXF LYS 2.00573
35 5C3R AKG 2.04082
36 5C3R HMU 2.04082
37 1PZX PLM 2.07612
38 4J25 OGA 2.18341
39 4D52 GIV 2.22222
40 4D52 GXL 2.22222
41 5NCJ SIN 2.23881
42 4M26 ZZU 2.29226
43 4M26 SIN 2.29226
44 4M26 AKG 2.29226
45 3VDB 149 2.29226
46 6AM8 PLT 2.29226
47 5FP4 YC8 2.39521
48 3MMH SME 2.39521
49 2RDQ AKG 2.43056
50 6FXR AKG 2.5788
51 3NKT 1HN 2.5788
52 2WBP SIN 2.5788
53 2WBP ZZU 2.5788
54 2Y3S TIR 2.64151
55 3ACL 3F1 2.7027
56 3GJB AKG 2.82132
57 5KBZ 3B2 2.86533
58 4UF0 MMK 2.86533
59 5EPA AKG 2.86738
60 5C5T AKG 3.07018
61 4OJ8 AKG 3.07167
62 4OJ8 2TQ 3.07167
63 2JIG PD2 3.125
64 5LUN ARG 3.15186
65 5LUN OGA 3.15186
66 2OBD PCW 3.15186
67 2OG7 SIN 3.15186
68 2OBD 2OB 3.15186
69 4ICS TRP GLY 3.15186
70 5L9B AKG 3.1746
71 5OX6 A1Z 3.1746
72 5L9V OGA 3.1746
73 4BCS BTN 3.2
74 3HQR OGA 3.25203
75 3VHH VHH 3.25203
76 1NX4 AKG 3.2967
77 5AAV GW5 3.57143
78 5HV0 AKG 3.68664
79 1MEX RAC 3.72093
80 3AVR OGA 3.72493
81 6FUL E7Z 3.72493
82 5KJU 6TO 3.72493
83 4WNK 453 3.72493
84 4Z28 BTN 3.73134
85 4NJH SAM 3.91304
86 4NJH 2K8 3.91304
87 2O07 SPD 3.94737
88 2O07 MTA 3.94737
89 2IXC TRH 3.9604
90 4XAC AKG 3.96825
91 1DRY AKG 4.01235
92 1DRY AAG 4.01235
93 4JZR 4JR 4.16667
94 1OS7 AKG 4.24028
95 1OS7 TAU 4.24028
96 5CAD PCA 4.29799
97 5YW0 SIN 4.40252
98 5JSP DQY 4.47761
99 1NYW DAU 4.56853
100 1GQG DCD 4.58453
101 2UZ2 BTN 4.61538
102 1QD1 FON 4.61538
103 4QM9 CYS 4.62428
104 4MLO PAM 4.71014
105 6EOZ 58K 4.87013
106 6EOZ AKG 4.87013
107 4RQL SNE 4.87106
108 4BG1 IVL 4.87106
109 4BG1 OGA 4.87106
110 6F6J CUW 4.87106
111 6F6J SIN 4.87106
112 4OCT AKG 4.95496
113 2ET1 GLV 4.97512
114 1ZM1 BGC BGC BGC 4.97925
115 3WW2 SF6 5.07812
116 3WW2 LPK 5.07812
117 2MAS PIR 5.09554
118 3WUC GLC GAL 5.10949
119 5O9W AKG 5.15759
120 5NW7 9C2 5.15759
121 4CU7 GIF 5.15759
122 3EW2 BTN 5.18518
123 1J3R 6PG 5.26316
124 1OIJ AKG 5.31561
125 1OIK AKG 5.31561
126 1OIK C26 5.31561
127 2GC0 PAN 5.31915
128 6CDG PRO GLY LEU TRP LYS SER 5.38922
129 4IE6 UN9 5.44413
130 1LRH NLA 5.52147
131 4ZU5 THM 5.55556
132 5V1B 8UY 5.83333
133 2A1X AKG 5.84416
134 5FLJ QUE 5.91398
135 5TFZ 7BC 6
136 4NPL AKG 6
137 6F6D AKG 6.01719
138 5FP3 3JI 6.01719
139 5IQT AKG 6.03175
140 5IQT 6CU 6.03175
141 2FCU AKG 6.07029
142 4GGZ BTN 6.08696
143 5UQD AKG 6.1086
144 4XCB HY0 6.13027
145 4XCB AKG 6.13027
146 5FQ0 FLC 6.14035
147 2HKA C3S 6.15385
148 5XQW 8EU 6.16114
149 4P7X YCP 6.16438
150 4P7X AKG 6.16438
151 3FW4 CAQ 6.17978
152 5FPX GLY SER SER HIS HIS HIS HIS HIS 6.19469
153 3JRS A8S 6.25
154 2C1P FNZ 6.45161
155 5M0T AKG 6.46258
156 1QIN GIP 6.55738
157 3SCH TB6 6.56566
158 1ZZ7 S0H 6.56566
159 3WUD GLC GAL 6.61765
160 6MPT C30 6.64336
161 2ARC ARA 6.70732
162 1A78 TDG 6.71642
163 2IGA XX3 6.87679
164 2IGA XX2 6.87679
165 5A65 TPP 6.91244
166 4Q0P 0MK 6.92308
167 3W21 AKG 6.95971
168 3RUG DB6 7.07071
169 2FLI DX5 7.27273
170 3MPB FRU 7.31707
171 4NAO AKG 7.66871
172 4XF6 INS 7.69231
173 4XF6 LIP 7.69231
174 4XF6 ADP 7.69231
175 4LIT AKG 7.73639
176 3KV4 OGA 8.59599
177 4BJ8 BTN 8.73016
178 3H9A PPY 9.0535
179 3H7J PPY 9.0535
180 4Y24 TD2 9.09091
181 5XEG AKG 9.52381
182 4ZXA H8N 9.52381
183 3KV5 OGA 9.74212
184 5I0U DCY 10
185 3PUA OGA 10.0287
186 1QY1 PRZ 10.3448
187 4HSJ 6PC 10.3448
188 4ZU4 4TG 10.8108
189 1SLT NDG GAL 11.9403
190 3OYW TDG 11.9403
191 2FTB OLA 12
192 4BXF AKG 12.0344
193 5YBN AKG 12.7389
194 1ODM ASV 12.9909
195 1POT SPD 13.5385
196 4R38 RBF 13.5714
197 4YHQ G10 14.1414
198 6D61 4AA 14.8718
199 4Y3O OGA 16.3324
200 4CCK OGA 16.6189
201 4CCN OGA 16.6189
202 1W6O LAT 18.6567
203 3N9Q OGA 24.6418
204 3N9O OGA 24.6418
205 3N9P OGA 24.6418
206 3PUR 2HG 24.6418
207 4CCO OGA 35
208 3OPT AKG 35.2941
209 4V24 GYR 35.2941
210 4QXB OGA 41.1765
211 1QXW M1C 41.1765
212 4RFR RHN 41.1765
213 6C8T EQJ 41.1765
214 6F4T OGA 46.2745
215 4YRD 3IT 47.0588
216 2IUW AKG 47.0588
Pocket No.: 2; Query (leader) PDB : 4B7E; Ligand: OGA; 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: 4b7e.bio1) has 13 residues
No: Leader PDB Ligand Sequence Similarity
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