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Receptor
PDB id Resolution Class Description Source Keywords
2Y0I 2.28 Å EC: 1.14.11.16 FACTOR INHIBITING HIF-1 ALPHA IN COMPLEX WITH TANKYRASE-2 (T FRAGMENT PEPTIDE (21-MER) HOMO SAPIENS OXIDOREDUCTASE-PEPTIDE COMPLEX DIOXYGENASE HELIX-LOOP-HELIFACIAL TRIAD ASPARAGINYL/ASPARTYL HYDROXYLASE ANKYRIN REPDOMAIN
Ref.: FACTOR-INHIBITING HYPOXIA-INDUCIBLE FACTOR (FIH) CA THE POST-TRANSLATIONAL HYDROXYLATION OF HISTIDINYL WITHIN ANKYRIN REPEAT DOMAINS. FEBS J. V. 278 1086 2011
Ligand
Ligand Chain:Residue Validity Ligand Warnings Binding Data NGL Viewer Molecular Weight (Da) Formula SMILES
AKG A:1351;
Valid;
none;
submit data
146.098 C5 H6 O5 C(CC(...
FE2 A:1350;
Part of Protein;
none;
submit data
55.845 Fe [Fe+2...
GOL A:1355;
A:1356;
Invalid;
Invalid;
none;
none;
submit data
92.094 C3 H8 O3 C(C(C...
SO4 A:1352;
A:1353;
A:1354;
Invalid;
Invalid;
Invalid;
none;
none;
none;
submit data
96.063 O4 S [O-]S...
View in 3D viewer
90% Homology Family
Leader
PDB id Resolution Class Description Source Keywords
2Y0I 2.28 Å EC: 1.14.11.16 FACTOR INHIBITING HIF-1 ALPHA IN COMPLEX WITH TANKYRASE-2 (T FRAGMENT PEPTIDE (21-MER) HOMO SAPIENS OXIDOREDUCTASE-PEPTIDE COMPLEX DIOXYGENASE HELIX-LOOP-HELIFACIAL TRIAD ASPARAGINYL/ASPARTYL HYDROXYLASE ANKYRIN REPDOMAIN
Ref.: FACTOR-INHIBITING HYPOXIA-INDUCIBLE FACTOR (FIH) CA THE POST-TRANSLATIONAL HYDROXYLATION OF HISTIDINYL WITHIN ANKYRIN REPEAT DOMAINS. FEBS J. V. 278 1086 2011
Members (1)
No: PDB id Binding Data Representative ligand Formula Smiles
The Class containing this family consists of a total of 6 families.
1 2Y0I - AKG C5 H6 O5 C(CC(=O)O)....
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: AKG; Similar ligands found: 7
No: Ligand ECFP6 Tc MDL keys Tc
1 AKG 1 1
2 SIN 0.526316 0.833333
3 OOG 0.5 0.947368
4 69O 0.458333 0.714286
5 2IT 0.423077 0.615385
6 SHF 0.416667 0.666667
7 3PY 0.409091 0.652174
Similar Binding Sites (Proteins are less than 50% similar to leader)
Pocket No.: 1; Query (leader) PDB : 2Y0I; Ligand: AKG; Similar sites found with APoc: 196
This union binding pocket(no: 1) in the query (biounit: 2y0i.bio1) has 13 residues
No: Leader PDB Ligand Sequence Similarity
1 2WCV FUC 1.42857
2 3NNF AKG 1.45349
3 2C1Q BTN 1.5873
4 5YBL AKG 1.59236
5 1UNB AKG 1.60772
6 1UNB PN1 1.60772
7 2IUW AKG 1.68067
8 5KR7 6X9 1.70455
9 5Y4K AKR 1.70455
10 3B1Q NOS 1.84049
11 5EQU 5R6 1.96721
12 5EQU AKG 1.96721
13 3OPT AKG 1.98864
14 5A3T MMK 1.98864
15 4IGQ THR M3L GLN 1.98864
16 4IGQ OGA 1.98864
17 6EXF LYS 1.98864
18 3ZDS HMQ 1.98864
19 1GP6 SIN 1.98864
20 1GP6 QUE 1.98864
21 1GP6 DH2 1.98864
22 3ZDS M8O 1.98864
23 3ZDS OMD 1.98864
24 6F68 4EU 2.03252
25 6F68 GSH 2.03252
26 3QT6 2P0 2.10843
27 4J25 OGA 2.18341
28 5NCJ SIN 2.23881
29 4M26 ZZU 2.27273
30 4M26 SIN 2.27273
31 4M26 AKG 2.27273
32 5FP4 YC8 2.39521
33 2AOT 2PM 2.39726
34 2RDQ AKG 2.43056
35 6FXR AKG 2.55682
36 3NKT 1HN 2.55682
37 2WBP ZZU 2.55682
38 2WBP SIN 2.55682
39 2OAZ I96 2.55682
40 3ACL 3F1 2.7027
41 3GJB AKG 2.82132
42 4UF0 MMK 2.84091
43 3EI9 PL6 2.84091
44 5O59 GS1 GLC GS1 2.84091
45 4V24 GYR 2.84091
46 5EPA AKG 2.86738
47 1T27 PCW 2.95203
48 5C5T AKG 3.07018
49 4OJ8 2TQ 3.07167
50 4OJ8 AKG 3.07167
51 2JIG PD2 3.125
52 5LUN ARG 3.125
53 5LUN OGA 3.125
54 2OBD PCW 3.125
55 5HIP 61O 3.125
56 2OG7 SIN 3.125
57 5AJP UDP 3.125
58 5OX6 A1Z 3.1746
59 5L9B AKG 3.1746
60 5L9V OGA 3.1746
61 5C3R HMU 3.207
62 5C3R AKG 3.207
63 3HQR OGA 3.25203
64 3VHH VHH 3.25203
65 1NX4 AKG 3.2967
66 5HV0 AKG 3.68664
67 3AVR OGA 3.69318
68 6FUL E7Z 3.69318
69 4CPH LH4 3.93701
70 4RFR RHN 3.94089
71 4XAC AKG 3.96825
72 1OLM VTQ 3.97727
73 1DRY AAG 4.01235
74 1DRY AKG 4.01235
75 4JZR 4JR 4.16667
76 1OS7 TAU 4.24028
77 1OS7 AKG 4.24028
78 4UUG PXG 4.26136
79 3GM5 CIT 4.40252
80 5JSP DQY 4.47761
81 3E8T UQ8 4.54545
82 6F6J SIN 4.54545
83 6F6J CUW 4.54545
84 1GQG DCD 4.54545
85 4MPO AMP 4.57516
86 4QM9 CYS 4.62428
87 4MLO PAM 4.71014
88 4RQL SNE 4.82955
89 1ZOA 140 4.82955
90 6EOZ AKG 4.87013
91 6EOZ 58K 4.87013
92 4OCT AKG 4.95496
93 2ET1 GLV 4.97512
94 1WUB OTP 5.05618
95 4YRD 3IT 5.11364
96 5O9W AKG 5.11364
97 4QDF 30Q 5.11364
98 5NW7 9C2 5.11364
99 4CU7 GIF 5.11364
100 3EW2 BTN 5.18518
101 1J3R 6PG 5.26316
102 1OIK C26 5.31561
103 1OIK AKG 5.31561
104 1OIJ AKG 5.31561
105 2GC0 PAN 5.31915
106 4IE6 UN9 5.39773
107 5IQT AKG 5.39773
108 5IQT 6CU 5.39773
109 2YVO AMP 5.49451
110 1LRH NLA 5.52147
111 4ZU5 THM 5.55556
112 5V13 JH3 5.55556
113 3FS1 MYR 5.65217
114 2A1X AKG 5.84416
115 4XZ6 TMO 5.8997
116 5FLJ QUE 5.91398
117 6F6D AKG 5.96591
118 5FP3 3JI 5.96591
119 5TFZ 7BC 6
120 4NPL AKG 6
121 6HDT BTN 6.01504
122 2FCU AKG 6.07029
123 5UQD AKG 6.1086
124 4XCB HY0 6.13027
125 4XCB AKG 6.13027
126 2HKA C3S 6.15385
127 4P7X YCP 6.16438
128 4P7X AKG 6.16438
129 3FW4 CAQ 6.17978
130 5FPX GLY SER SER HIS HIS HIS HIS HIS 6.19469
131 2ARC ARA 6.70732
132 5A65 TPP 6.91244
133 4Q0P 0MK 6.92308
134 3W21 AKG 6.95971
135 1WBI BTN 6.97674
136 3BL7 DD1 6.97674
137 1WDD CAP 7.03125
138 3MPB FRU 7.31707
139 1QXW M1C 7.53968
140 4NAO AKG 7.66871
141 4LIT AKG 7.67045
142 5DXI TRE 8.27815
143 3KV4 OGA 8.52273
144 4BJ8 BTN 8.73016
145 3H9A PPY 9.0535
146 3H7J PPY 9.0535
147 4ZXA H8N 9.52381
148 3PUA OGA 9.94318
149 1QY1 PRZ 10.3448
150 4HSJ 6PC 10.3448
151 4ZU4 4TG 10.8108
152 2ZSC BTN 11.3475
153 4BXF AKG 11.9318
154 5ML3 DL3 12.0805
155 1ODM ASV 12.9909
156 1POT SPD 13.5385
157 4Y3O OGA 16.1932
158 4CCK OGA 16.4773
159 4CCN OGA 16.4773
160 4QXB OGA 17.6471
161 6CDG PRO GLY LEU TRP LYS SER 19.0476
162 5I0U DCY 23.8095
163 3WW2 SF6 23.8095
164 3WW2 LPK 23.8095
165 5XEG AKG 23.8095
166 5ZM4 AKG 23.8095
167 5ZM4 9FU 23.8095
168 3RDE OYP 23.8095
169 3N9Q OGA 24.4318
170 3N9P OGA 24.4318
171 3N9O OGA 24.4318
172 3PUR 2HG 24.4318
173 5FWE OGA 28.5714
174 5F3I 5UJ 28.5714
175 5YBN AKG 28.5714
176 6H8P OGA 28.5714
177 5LY2 OGA 28.5714
178 2P5B OGA 28.5714
179 2Q8E OGA 28.5714
180 2OS2 OGA 28.5714
181 2YBP 2HG 28.5714
182 4Q0A 4OA 28.5714
183 5KJU 6TO 28.5714
184 5YW0 SIN 28.5714
185 2Y3S TIR 28.5714
186 1LW4 TLP 28.5714
187 4D52 GIV 28.5714
188 3KV5 OGA 33.3333
189 5M0T AKG 33.3333
190 3SCH TB6 33.3333
191 1ZZ7 S0H 33.3333
192 2UZ2 BTN 33.3333
193 3RGA ILD 33.3333
194 4CCO OGA 35
195 5E2N V14 38.0952
196 6F4T OGA 46.2745
Pocket No.: 2; Query (leader) PDB : 2Y0I; Ligand: AKG; 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: 2y0i.bio1) has 13 residues
No: Leader PDB Ligand Sequence Similarity
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