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Receptor
PDB id Resolution Class Description Source Keywords
2IUW 1.5 Å EC: 1.14.11.- CRYSTAL STRUCTURE OF HUMAN ABH3 IN COMPLEX WITH IRON ION AND 2-OXOGLUTARATE HOMO SAPIENS OXIDOREDUCTASE DNA/RNA REPAIR DEMETHYLASE BETA JELLYROLL
Ref.: HUMAN ABH3 STRUCTURE AND KEY RESIDUES FOR OXIDATIVE DEMETHYLATION TO REVERSE DNA/RNA DAMAGE. EMBO J. V. 25 3389 2006
Ligand
Ligand Chain:Residue Validity Ligand Warnings Binding Data NGL Viewer Molecular Weight (Da) Formula SMILES
AKG A:700;
Valid;
none;
submit data
146.098 C5 H6 O5 C(CC(...
BME A:800;
A:801;
A:802;
A:901;
Invalid;
Invalid;
Invalid;
Invalid;
none;
none;
none;
none;
submit data
78.133 C2 H6 O S C(CS)...
FE A:500;
A:501;
A:502;
Part of Protein;
Part of Protein;
Part of Protein;
none;
none;
none;
submit data
55.845 Fe [Fe+3...
View in 3D viewer
90% Homology Family
Leader
PDB id Resolution Class Description Source Keywords
2IUW 1.5 Å EC: 1.14.11.- CRYSTAL STRUCTURE OF HUMAN ABH3 IN COMPLEX WITH IRON ION AND 2-OXOGLUTARATE HOMO SAPIENS OXIDOREDUCTASE DNA/RNA REPAIR DEMETHYLASE BETA JELLYROLL
Ref.: HUMAN ABH3 STRUCTURE AND KEY RESIDUES FOR OXIDATIVE DEMETHYLATION TO REVERSE DNA/RNA DAMAGE. EMBO J. V. 25 3389 2006
Members (1)
No: PDB id Binding Data Representative ligand Formula Smiles
The Class containing this family consists of a total of 31 families.
1 2IUW - AKG C5 H6 O5 C(CC(=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 19 families.
1 2IUW - AKG C5 H6 O5 C(CC(=O)O)....
50% Homology Family (1)
No: PDB id Binding Data Representative ligand Formula Smiles
The Class containing this family consists of a total of 17 families.
1 2IUW - 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 : 2IUW; Ligand: AKG; Similar sites found with APoc: 281
This union binding pocket(no: 1) in the query (biounit: 2iuw.bio1) has 15 residues
No: Leader PDB Ligand Sequence Similarity
1 4AZP A9M None
2 3STK PLM None
3 4R38 RBF None
4 2YG2 S1P None
5 3E2M E2M 1.08108
6 5O9W AKG 1.2605
7 3PQB VGP 1.2605
8 6MPT C30 1.2605
9 2I74 MAN MAN MAN MAN 1.5873
10 3P3N AKG 1.68067
11 2Y0I AKG 1.68067
12 2WA4 069 1.68067
13 5JWP AKG 1.68067
14 5A65 TPP 1.84332
15 5ML3 DL3 2.01342
16 5GP0 GPP 2.01342
17 1NYW DAU 2.03046
18 3AMN CBK 2.10084
19 3AMN CBI 2.10084
20 3KV4 OGA 2.10084
21 1ELI PYC 2.10084
22 3SAO DBH 2.5
23 3SAO NKN 2.5
24 4MP8 NAD 2.52101
25 4MP8 MLI 2.52101
26 1T27 PCW 2.52101
27 2XMY CDK 2.52101
28 6EOZ 58K 2.52101
29 6EOZ AKG 2.52101
30 3OPT AKG 2.52101
31 1X7D ORN 2.52101
32 3HX3 RET 2.52101
33 4PIO SAH 2.52101
34 4PIO AVI 2.52101
35 1JS3 PLP 142 2.52101
36 1YKD CMP 2.52101
37 1Y9Q MED 2.60417
38 1I82 BGC BGC 2.6455
39 2V0U FMN 2.73973
40 2OVD DAO 2.74725
41 5DJT FMN 2.75862
42 4QAC KK3 2.76498
43 5NBW 8SK 2.80374
44 3FW4 CAQ 2.80899
45 4XAC AKG 2.94118
46 1OIK C26 2.94118
47 1OIK AKG 2.94118
48 1OIJ AKG 2.94118
49 2XXP DSL 2.94118
50 6F4T OGA 2.94118
51 4BVA T3 2.94118
52 3LVW GSH 2.94118
53 5GLT BGC GAL NAG GAL 2.94118
54 4Q0P 0MK 2.94118
55 2Q7D ANP 2.94118
56 2WKQ FMN 2.94118
57 4AZW ATP 2.94118
58 6D61 4AA 3.07692
59 2Z6C FMN 3.10078
60 4ORR PE3 3.15789
61 5HV0 AKG 3.22581
62 4PSB GA3 3.22581
63 5UR6 8KM 3.31492
64 1GP6 DH2 3.36134
65 1GP6 SIN 3.36134
66 1GP6 QUE 3.36134
67 1DRY AAG 3.36134
68 1DRY AKG 3.36134
69 3H7J PPY 3.36134
70 2VDY HCY 3.36134
71 4N7C AEF 3.40909
72 3SCH TB6 3.53535
73 2Z77 HE7 3.59712
74 4L4J NAG NAG BMA MAN NAG 3.61991
75 3MQG ACO 3.64583
76 1J3R 6PG 3.68421
77 2WYA HMG 3.69565
78 3OYW TDG 3.73134
79 5LUN OGA 3.78151
80 5LUN ARG 3.78151
81 3W21 AKG 3.78151
82 3E8N VRA 3.78151
83 3E8N ATP 3.78151
84 1ZOA 140 3.78151
85 3FVU IAC 3.78151
86 4QDF 30Q 3.78151
87 6GWR FEW 3.78151
88 5FYR INS 3.78151
89 3QRC SCR 3.82166
90 4YGF AZM 3.84615
91 5I8T LAC 3.91061
92 6FOF LAT 4.08163
93 5YU3 NAD 4.20168
94 5YU3 PRO 4.20168
95 1ZHX HC3 4.20168
96 1ZB6 DIN 4.20168
97 1ZB6 GST 4.20168
98 3PUA OGA 4.20168
99 5MZI FYK 4.20168
100 5MZI FAD 4.20168
101 4LA7 A1O 4.20168
102 3W68 VIV 4.20168
103 3M3R BCD 4.20168
104 5KD6 6C7 4.20168
105 5NW7 9C2 4.20168
106 2PNC CLU 4.20168
107 5IXH OTP 4.34783
108 5SVV FMN 4.37956
109 5I0U DCY 4.5
110 5T7I LAT NAG GAL 4.51613
111 5NFB 8VT 4.54545
112 3RDO BTN 4.57516
113 2HKA C3S 4.61538
114 5EPA AKG 4.62185
115 2A1L PCW 4.62185
116 5X7Q GLC GLC GLC GLC GLC 4.62185
117 2OG7 SIN 4.62185
118 4B0T ADP 4.62185
119 5DQ8 FLF 4.62185
120 5X7Q GLC GLC GLC GLC 4.62185
121 2Y3S TIR 4.62185
122 3RGA LSB 4.62185
123 3QXY SAM 4.62185
124 6CLV 6MB 4.62185
125 5DXI TRE 4.62185
126 3T50 FMN 4.6875
127 3D72 FAD 4.69799
128 3GJB AKG 4.70219
129 5AIG VPR 4.8
130 4WVW SLT 4.86111
131 4NG2 OHN 4.8913
132 2JIG PD2 4.91071
133 5DJU FMN 4.91803
134 2ET1 GLV 4.97512
135 2D6M LBT 5.03145
136 5AYT L6Y 5.03145
137 5L9V OGA 5.04202
138 1UNB AKG 5.04202
139 1UNB PN1 5.04202
140 1LRH NLA 5.04202
141 1SDW IYT 5.04202
142 3WUC GLC GAL 5.10949
143 4RYV ZEA 5.16129
144 6D6L FY4 5.29412
145 3MTX PGT 5.29801
146 5KEW 6SB 5.31915
147 5IVE 6E8 5.46218
148 2WBP ZZU 5.46218
149 2WBP SIN 5.46218
150 4WW8 VD9 5.46218
151 1REQ DCA 5.46218
152 2VQ5 HBA 5.47264
153 5ODY 9SK 5.7971
154 4ZSI 4R1 5.84795
155 5L9B AKG 5.88235
156 4CCK OGA 5.88235
157 4CCO OGA 5.88235
158 4CCN OGA 5.88235
159 4Y3O OGA 5.88235
160 4WHZ 3NL 5.88235
161 5CAD PCA 5.88235
162 1LVG 5GP 5.88235
163 4J7Q B7N 5.88235
164 5YJS SAL 5.88235
165 5IXG OTP 5.91716
166 5JSP DQY 5.97015
167 2PR5 FMN 6.06061
168 3M3E GAL A2G NPO 6.21118
169 1GT4 UNA 6.28931
170 1MHC FME TYR PHE ILE ASN ILE LEU THR LEU 6.30252
171 4D06 NAR 6.30252
172 4N14 WR7 6.30252
173 1C1L GAL BGC 6.56934
174 3N9P OGA 6.72269
175 3N9Q OGA 6.72269
176 3PUR 2HG 6.72269
177 5M0T AKG 6.72269
178 4IGQ THR M3L GLN 6.72269
179 4IGQ OGA 6.72269
180 2A1X AKG 6.72269
181 3N9O OGA 6.72269
182 5NCJ HL5 6.72269
183 5NCJ SIN 6.72269
184 2RDQ AKG 6.72269
185 5DKK FMN 6.89655
186 4QM9 CYS 6.93642
187 3Q8U ADP 7.00637
188 1ODM ASV 7.14286
189 2XK9 XK9 7.14286
190 4ZXA H8N 7.14286
191 1XPM HMG 7.14286
192 1XPK HMG 7.14286
193 6GNO XDI 7.40741
194 4WUJ FMN 7.48299
195 5V1B 8UY 7.5
196 5C3R AKG 7.56302
197 5C3R HMU 7.56302
198 2ZYI STE 7.56302
199 3FW9 SLX 7.56302
200 2J7T 274 7.56302
201 1H2M OGA 7.69231
202 6FXR AKG 7.98319
203 2FCU AKG 7.98319
204 1TIW FAD 7.98319
205 1TIW TFB 7.98319
206 3UDZ ADP 7.98319
207 1NWW HPN 8.05369
208 3WUD GLC GAL 8.08823
209 4TWL ASC 8.13008
210 2E56 MYR 8.33333
211 4YRD 3IT 8.40336
212 4P5Z Q7M 8.40336
213 4C01 QY9 8.40336
214 4O8A 2OP 8.40336
215 1SWG BTN 8.59375
216 4JZR 4JR 8.7963
217 2WPU KYT 8.80503
218 5YBN AKG 8.82353
219 4NAO AKG 8.82353
220 4J36 FAD 8.82353
221 4J36 1HR 8.82353
222 5D6T NGA 8.82353
223 2GC0 PAN 9.04255
224 4J25 OGA 9.17031
225 1NX4 AKG 9.2437
226 5UQD AKG 9.2437
227 3MF2 AMP 9.2437
228 5HA0 LTD 9.61539
229 1VYF OLA 9.62963
230 4XCB HY0 9.66387
231 4XCB AKG 9.66387
232 5KF6 FAD 9.66387
233 5KF6 TFB 9.66387
234 1H2K OGA 9.7561
235 1TT8 PHB 9.7561
236 3O94 NCA 9.95261
237 2Z6D FMN 10
238 1H4H XYP XYS XYP 10.0478
239 5H2D ERG 10.084
240 3KV5 OGA 10.084
241 5A5W GUO 10.084
242 5IQT AKG 10.4762
243 5IQT 6CU 10.4762
244 6BHQ NAG NAG FUL BMA MAN MAN NAG GAL 10.5042
245 4MVK ACE VAL PHE PHE ALA GLU ASP NH2 10.6383
246 6GR0 F8W 10.9195
247 1C5C TK4 10.9244
248 4BX7 B4F 10.9375
249 5C5T AKG 10.9649
250 3NNF AKG 11.3445
251 3P7N FMN 11.3445
252 4XIZ LPP 11.4286
253 5FPX GLY SER SER HIS HIS HIS HIS HIS 11.5044
254 3WH2 FLC 11.5646
255 4BG1 OGA 11.7647
256 4BG1 IVL 11.7647
257 4M26 AKG 12.1849
258 4M26 ZZU 12.1849
259 4M26 SIN 12.1849
260 2YBP 2HG 12.605
261 5F3I 5UJ 12.605
262 2OS2 OGA 12.605
263 4OJ8 AKG 12.605
264 2XIQ MLC 12.605
265 4OJ8 2TQ 12.605
266 2GJ5 VD3 12.963
267 4QXB OGA 13.2353
268 4Y24 TD2 13.6364
269 4GGZ BTN 13.913
270 5TFZ 7BC 14.6667
271 1OS7 TAU 15.9011
272 1OS7 AKG 15.9011
273 1IS3 LAT 17.037
274 1QY1 PRZ 17.2414
275 3I8T LBT 17.6829
276 2W47 UNF 18.0556
277 5NLD LBT 20.1439
278 4H2V AMP 21.8182
279 5XEG AKG 26.8398
280 4H2X G5A 37.8641
281 4B7E OGA 47.0588
282 2XUM OGA 50
Pocket No.: 2; Query (leader) PDB : 2IUW; 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: 2iuw.bio1) has 15 residues
No: Leader PDB Ligand Sequence Similarity
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