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Receptor
PDB id Resolution Class Description Source Keywords
5JWP 2.1 Å EC: 1.14.11.16 CRYSTAL STRUCTURE OF HUMAN FIH D201E VARIANT IN COMPLEX WITH ALPHA-KETOGLUTARATE, AND HIF1 ALPHA PEPTIDE. HOMO SAPIENS HYPOXIA SENSING FACTOR INHIBITING HIF ALPHA-KETOGLUTARATE OXYGENASE HYPOXIA INDUCIBLE FACTOR HYDROXYLASE OXIDOREDU
Ref.: THE FACIAL TRIAD IN THE ALPHA-KETOGLUTARATE DEPENDE OXYGENASE FIH: A ROLE FOR STERICS IN LINKING SUBSTR BINDING TO O2 ACTIVATION. J.INORG.BIOCHEM. V. 166 26 2016
Ligand
Ligand Chain:Residue Validity Ligand Warnings Binding Data NGL Viewer Molecular Weight (Da) Formula SMILES
SO4 A:405;
A:404;
A:406;
A:407;
Invalid;
Invalid;
Invalid;
Invalid;
none;
none;
none;
none;
submit data
96.063 O4 S [O-]S...
AKG A:401;
Valid;
none;
submit data
146.098 C5 H6 O5 C(CC(...
GOL A:402;
Invalid;
none;
submit data
92.094 C3 H8 O3 C(C(C...
ZN A:403;
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
5JWP 2.1 Å EC: 1.14.11.16 CRYSTAL STRUCTURE OF HUMAN FIH D201E VARIANT IN COMPLEX WITH ALPHA-KETOGLUTARATE, AND HIF1 ALPHA PEPTIDE. HOMO SAPIENS HYPOXIA SENSING FACTOR INHIBITING HIF ALPHA-KETOGLUTARATE OXYGENASE HYPOXIA INDUCIBLE FACTOR HYDROXYLASE OXIDOREDU
Ref.: THE FACIAL TRIAD IN THE ALPHA-KETOGLUTARATE DEPENDE OXYGENASE FIH: A ROLE FOR STERICS IN LINKING SUBSTR BINDING TO O2 ACTIVATION. J.INORG.BIOCHEM. V. 166 26 2016
Members (2)
No: PDB id Binding Data Representative ligand Formula Smiles
The Class containing this family consists of a total of 6 families.
1 5JWP - AKG C5 H6 O5 C(CC(=O)O)....
2 3D8C - AKG C5 H6 O5 C(CC(=O)O)....
70% Homology Family (2)
No: PDB id Binding Data Representative ligand Formula Smiles
The Class containing this family consists of a total of 4 families.
1 5JWP - AKG C5 H6 O5 C(CC(=O)O)....
2 3D8C - AKG C5 H6 O5 C(CC(=O)O)....
50% Homology Family (2)
No: PDB id Binding Data Representative ligand Formula Smiles
The Class containing this family consists of a total of 3 families.
1 5JWP - AKG C5 H6 O5 C(CC(=O)O)....
2 3D8C - AKG C5 H6 O5 C(CC(=O)O)....
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 : 5JWP; Ligand: AKG; Similar sites found with APoc: 236
This union binding pocket(no: 1) in the query (biounit: 5jwp.bio1) has 12 residues
No: Leader PDB Ligand Sequence Similarity
1 3NNF AKG 1.45349
2 5YBL AKG 1.59236
3 1UNB AKG 1.60772
4 1UNB PN1 1.60772
5 2IUW AKG 1.68067
6 5KR7 6X9 1.70455
7 5Y4K AKR 1.70455
8 5ZM4 AKG 1.96078
9 5ZM4 9FU 1.96078
10 5EQU AKG 1.96721
11 5EQU 5R6 1.96721
12 5A3T MMK 1.98864
13 5F3I 5UJ 1.98864
14 4IGQ THR M3L GLN 1.98864
15 5FWE OGA 1.98864
16 5LY2 OGA 1.98864
17 3OPT AKG 1.98864
18 4IGQ OGA 1.98864
19 2Q8E OGA 1.98864
20 2P5B OGA 1.98864
21 2OS2 OGA 1.98864
22 2YBP 2HG 1.98864
23 3PUA OGA 1.98864
24 6H8P OGA 1.98864
25 3ZDS HMQ 1.98864
26 1GP6 QUE 1.98864
27 1GP6 DH2 1.98864
28 1GP6 SIN 1.98864
29 6EXF LYS 1.98864
30 3ZDS M8O 1.98864
31 3ZDS HQ9 1.98864
32 3ZDS OMD 1.98864
33 6F68 4EU 2.03252
34 6F68 GSH 2.03252
35 4J25 OGA 2.18341
36 4D52 GIV 2.22222
37 5NCJ SIN 2.23881
38 5YJS SAL 2.27273
39 4QDC ASD 2.27273
40 4MUS 2D8 2.36967
41 1H8S AIC 2.38095
42 5FP4 YC8 2.39521
43 2AOT 2PM 2.39726
44 5OCQ 9RN G4S 9RN G4S 2.45614
45 3NKT 1HN 2.55682
46 2WBP ZZU 2.55682
47 2WBP SIN 2.55682
48 2OAZ I96 2.55682
49 2Y3S TIR 2.64151
50 3ACL 3F1 2.7027
51 5HV0 AKG 2.76498
52 3GJB AKG 2.82132
53 5HSS 650 2.84091
54 1HG4 LPP 2.86738
55 2Y88 2ER 2.86885
56 5C5T AKG 3.07018
57 4OJ8 2TQ 3.07167
58 4OJ8 AKG 3.07167
59 2JIG PD2 3.125
60 5LUN ARG 3.125
61 5LUN OGA 3.125
62 2OBD PCW 3.125
63 2RFY CBI 3.125
64 2OG7 SIN 3.125
65 5OX6 A1Z 3.1746
66 1Y52 BTN 3.1746
67 5L9V OGA 3.1746
68 5L9B AKG 3.1746
69 4BCS BTN 3.2
70 5C3R AKG 3.207
71 5C3R HMU 3.207
72 3VHH VHH 3.25203
73 3HQR OGA 3.25203
74 3RDO BTN 3.26797
75 1NX4 AKG 3.2967
76 4ZU4 4TG 3.37838
77 4C0C WVH 3.40909
78 3KA2 2NC 3.44828
79 3FSM 2NC 3.44828
80 4JYD SAH 3.44828
81 4E90 7RG 3.64742
82 3AVR OGA 3.69318
83 5FWJ MMK 3.69318
84 5KJU 6TO 3.69318
85 1RM0 D6P 3.69318
86 6FUL E7Z 3.69318
87 4Z28 BTN 3.73134
88 4RFR RHN 3.94089
89 4XAC AKG 3.96825
90 1OLM VTQ 3.97727
91 1DRY AAG 4.01235
92 1DRY AKG 4.01235
93 4NJS G08 4.0404
94 5I0F GLC GLC 4.09277
95 4JZR 4JR 4.16667
96 1OS7 AKG 4.24028
97 1OS7 TAU 4.24028
98 5CAD PCA 4.26136
99 4RQL SNE 4.26136
100 5YW0 SIN 4.40252
101 3GM5 CIT 4.40252
102 5JSP DQY 4.47761
103 1GQG DCD 4.54545
104 6F6J SIN 4.54545
105 6F6J CUW 4.54545
106 5OES ADP 4.54545
107 1NYW DAU 4.56853
108 4MPO AMP 4.57516
109 2UZ2 BTN 4.61538
110 1SG4 CO8 4.61538
111 4QM9 CYS 4.62428
112 4BG1 OGA 4.82955
113 4BG1 IVL 4.82955
114 6EOZ 58K 4.87013
115 6EOZ AKG 4.87013
116 4OCT AKG 4.95496
117 4Q0A 4OA 4.96689
118 2ET1 GLV 4.97512
119 1SIV PSI 5.05051
120 3MKN DNB 5.06329
121 3WW2 LPK 5.07812
122 3WW2 SF6 5.07812
123 4YRD 3IT 5.11364
124 4CU7 GIF 5.11364
125 4QDF 30Q 5.11364
126 5NW7 9C2 5.11364
127 3B50 SLB 5.16129
128 3EW2 BTN 5.18518
129 1J3R 6PG 5.26316
130 1OIK AKG 5.31561
131 1OIK C26 5.31561
132 1OIJ AKG 5.31561
133 2GC0 PAN 5.31915
134 4IE6 UN9 5.39773
135 5IQT AKG 5.39773
136 5IQT 6CU 5.39773
137 2BUC 008 5.39773
138 1LRH NLA 5.52147
139 5MHB PBG 5.55556
140 4ZU5 THM 5.55556
141 5FAL COA 5.68182
142 5FAL SKT 5.68182
143 5VZ0 ADP 5.68182
144 4MLO PAM 5.7971
145 5FLJ QUE 5.91398
146 5I0U DCY 6
147 5TFZ 7BC 6
148 4NPL AKG 6
149 6HDT BTN 6.01504
150 2FCU AKG 6.07029
151 2IFB PLM 6.10687
152 4P7X AKG 6.16438
153 4P7X YCP 6.16438
154 5FPX GLY SER SER HIS HIS HIS HIS HIS 6.19469
155 5V1B 8UY 6.25
156 2YG2 S1P 6.39535
157 5M0T AKG 6.46258
158 1QIN GIP 6.55738
159 3SCH TB6 6.56566
160 1ZZ7 S0H 6.56566
161 2ARC ARA 6.70732
162 3FW4 CAQ 6.74157
163 2IGA XX2 6.81818
164 5A65 TPP 6.91244
165 4Q0P 0MK 6.92308
166 3W21 AKG 6.95971
167 1WBI BTN 6.97674
168 1LEK GLU GLN TYR LYS PHE TYR SER VAL 7.07071
169 2FLI DX5 7.27273
170 3MPB FRU 7.31707
171 3KJM 245 7.38636
172 1QXW M1C 7.53968
173 4XF6 INS 7.69231
174 4XF6 LIP 7.69231
175 4XF6 ADP 7.69231
176 6D61 4AA 8.20513
177 5IVE 6E8 8.23864
178 3SM2 478 8.33333
179 3KV4 OGA 8.52273
180 4BJ8 BTN 8.73016
181 5UWA 8ND 8.86699
182 3H9A PPY 9.0535
183 3H7J PPY 9.0535
184 4HSJ 6PC 9.1954
185 5XEG AKG 9.52381
186 4ZXA H8N 9.52381
187 1RNT 2GP 9.61539
188 3KV5 OGA 9.65909
189 1MDC PLM 9.84848
190 5U98 1KX 10.101
191 3S43 478 10.101
192 1QY1 PRZ 10.3448
193 5O9W AKG 10.5263
194 4NAO AKG 10.5263
195 2ZSC BTN 11.3475
196 4CCN OGA 11.4286
197 4BXF AKG 11.9318
198 3OYW TDG 11.9403
199 1ODM ASV 12.3867
200 4UF0 MMK 12.5
201 5YBN AKG 12.7389
202 4WN5 MVC 13.913
203 4R38 RBF 14.2857
204 5SVV FMN 14.5985
205 4Y3O OGA 16.1932
206 2XFH CL6 16.1932
207 4CCK OGA 16.4773
208 4QXB OGA 17.6471
209 5UQD AKG 21.0526
210 4XCB HY0 21.0526
211 4XCB AKG 21.0526
212 3N9Q OGA 24.4318
213 3N9O OGA 24.4318
214 3N9P OGA 24.4318
215 3PUR 2HG 24.4318
216 6F6D AKG 26.3158
217 4LIT AKG 26.3158
218 1N5S ADL 26.3158
219 5FP3 3JI 26.3158
220 6CDG PRO GLY LEU TRP LYS SER 26.3158
221 6MPT C30 31.5789
222 5X2Z 3LM 31.5789
223 4M26 ZZU 31.5789
224 4M26 SIN 31.5789
225 4BX7 B4F 31.5789
226 4M26 AKG 31.5789
227 4CPH LH4 31.5789
228 2WPU KYT 31.5789
229 1SWG BTN 31.5789
230 4CCO OGA 35
231 2HKA C3S 36.8421
232 4POS NAG SIA GAL 36.8421
233 2RDQ AKG 42.1053
234 6F4T OGA 46.2745
235 6FXR AKG 47.3684
236 3QT6 2P0 47.3684
Pocket No.: 2; Query (leader) PDB : 5JWP; 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: 5jwp.bio1) has 12 residues
No: Leader PDB Ligand Sequence Similarity
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