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Receptor
PDB id Resolution Class Description Source Keywords
3N9O 2.31 Å EC: 1.14.11.27 CEKDM7A FROM C.ELEGANS, COMPLEX WITH H3K4ME3 PEPTIDE, H3K9ME AND NOG CAENORHABDITIS ELEGANS HISTONE METHYLATION DEMETHYLASE PHD JMJC FE(II) AND ALP(ALPHA-KETOGLUTARATE)-DEPENDENT DIOXYGENASE FAMILY OXIDORE
Ref.: STRUCTURAL INSIGHTS INTO A DUAL-SPECIFICITY HISTONE DEMETHYLASE CEKDM7A FROM CAENORHABDITIS ELEGANS CELL RES. V. 20 886 2010
Ligand
Ligand Chain:Residue Validity Ligand Warnings Binding Data NGL Viewer Molecular Weight (Da) Formula SMILES
FE2 A:1;
Part of Protein;
none;
submit data
55.845 Fe [Fe+2...
OGA A:4;
Valid;
none;
submit data
147.086 C4 H5 N O5 C(C(=...
ZN A:2;
A:3;
Part of Protein;
Part of Protein;
none;
none;
submit data
65.409 Zn [Zn+2...
View in 3D viewer
90% Homology Family
Leader
PDB id Resolution Class Description Source Keywords
3N9O 2.31 Å EC: 1.14.11.27 CEKDM7A FROM C.ELEGANS, COMPLEX WITH H3K4ME3 PEPTIDE, H3K9ME AND NOG CAENORHABDITIS ELEGANS HISTONE METHYLATION DEMETHYLASE PHD JMJC FE(II) AND ALP(ALPHA-KETOGLUTARATE)-DEPENDENT DIOXYGENASE FAMILY OXIDORE
Ref.: STRUCTURAL INSIGHTS INTO A DUAL-SPECIFICITY HISTONE DEMETHYLASE CEKDM7A FROM CAENORHABDITIS ELEGANS CELL RES. V. 20 886 2010
Members (1)
No: PDB id Binding Data Representative ligand Formula Smiles
The Class containing this family consists of a total of 13 families.
1 3N9O - OGA C4 H5 N O5 C(C(=O)O)N....
70% Homology Family (2)
No: PDB id Binding Data Representative ligand Formula Smiles
The Class containing this family consists of a total of 11 families.
1 3N9O - OGA C4 H5 N O5 C(C(=O)O)N....
2 3N9Q - OGA C4 H5 N O5 C(C(=O)O)N....
50% Homology Family (2)
No: PDB id Binding Data Representative ligand Formula Smiles
The Class containing this family consists of a total of 9 families.
1 3N9O - OGA C4 H5 N O5 C(C(=O)O)N....
2 3N9Q - 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 : 3N9O; Ligand: OGA; Similar sites found with APoc: 225
This union binding pocket(no: 1) in the query (biounit: 3n9o.bio1) has 12 residues
No: Leader PDB Ligand Sequence Similarity
1 5L77 GUX 1.0101
2 5KF6 FAD 1.51515
3 2X7J TPP 1.51515
4 2FY3 CHT 1.51515
5 4B2Z P5S 1.5625
6 6FXR AKG 1.89394
7 5IQT AKG 1.90476
8 5IQT 6CU 1.90476
9 1UNB AKG 1.92926
10 1UNB PN1 1.92926
11 3PQB VGP 1.99601
12 4BG1 OGA 2.06718
13 4BG1 IVL 2.06718
14 4LS7 1X9 2.11268
15 3G4G D71 2.13777
16 5O9W AKG 2.17984
17 2ZX7 ZX7 2.1978
18 2OG7 SIN 2.2409
19 2Q8E OGA 2.27273
20 4XAC AKG 2.38095
21 4BJ8 BTN 2.38095
22 5AAV GW5 2.38095
23 4NPL AKG 2.4
24 4IE6 UN9 2.42424
25 1OS7 AKG 2.4735
26 1OS7 TAU 2.4735
27 5UQD AKG 2.48869
28 5V1B 8UY 2.5
29 5JXZ ISJ 2.55754
30 5JXZ ISC 2.55754
31 5JY4 ISC 2.55754
32 5XEG AKG 2.5974
33 4WHZ 3NL 2.5974
34 4J25 OGA 2.62009
35 1OIJ AKG 2.65781
36 1OIK C26 2.65781
37 5FP4 YC8 2.69461
38 4OCT AKG 2.7027
39 5FWJ MMK 2.76008
40 4C0R GDS 2.82258
41 2FCU AKG 2.8754
42 5YU3 PRO 2.90698
43 5YU3 NAD 2.90698
44 5SVV FMN 2.91971
45 5FP3 3JI 2.94118
46 6F6D AKG 2.94118
47 1LRH NLA 3.06748
48 5C5T AKG 3.07018
49 4P7X AKG 3.08219
50 4P7X YCP 3.08219
51 3VPC ADP 3.19149
52 3VPB ADP 3.19149
53 2H12 OAA 3.21101
54 2JAP J01 3.23887
55 5ZM4 9FU 3.26797
56 5ZM4 AKG 3.26797
57 1NX4 AKG 3.2967
58 6CC0 EWM 3.37553
59 1DRY AAG 3.39506
60 1DRY AKG 3.39506
61 5C3R AKG 3.49854
62 5C3R HMU 3.49854
63 1AUX AGS 3.53698
64 5EPA AKG 3.58423
65 3H7J PPY 3.7037
66 2GC0 PAN 3.7234
67 5KR7 6X9 3.78788
68 2ZID GLC GLC GLC 3.78788
69 2VQD AP2 3.87931
70 4YRD 3IT 3.89972
71 2WBP SIN 3.91061
72 2WBP ZZU 3.91061
73 2F99 AKV 3.92157
74 4RFR RHN 3.94089
75 5OX6 A1Z 3.96825
76 3HQR OGA 4.06504
77 3GJB AKG 4.07523
78 4WUJ FMN 4.08163
79 4M26 SIN 4.12088
80 4M26 ZZU 4.12088
81 4M26 AKG 4.12088
82 2RDQ AKG 4.16667
83 2YGO PCF 4.25532
84 5VZ0 ADP 4.35606
85 5L9B AKG 4.36508
86 3E85 BSU 4.43038
87 1VYF OLA 4.44444
88 1SLT NDG GAL 4.47761
89 1KQW RTL 4.47761
90 6A9F 9BF 4.4843
91 6HDT BTN 4.51128
92 2PR5 FMN 4.54545
93 2A1X AKG 4.54545
94 6EOZ 58K 4.54545
95 6EOZ AKG 4.54545
96 3IS2 FAD 4.54545
97 1QFT HSM 4.57143
98 1OGX EQU 4.58015
99 4JZR 4JR 4.62963
100 1WBI BTN 4.65116
101 3D72 FAD 4.69799
102 5M0T AKG 4.7619
103 6CDG PRO GLY LEU TRP LYS SER 4.79042
104 1TUF AZ1 4.83871
105 5UWA 8ND 4.92611
106 5C9J DAO 4.98221
107 4R38 RBF 5
108 4Q0P 0MK 5
109 6A63 LAT 5.07246
110 2YGN PCF 5.12821
111 2F7A BEZ 5.17241
112 5LUN ARG 5.39773
113 5LUN OGA 5.39773
114 4OJ8 AKG 5.46075
115 4OJ8 2TQ 5.46075
116 4UAL 3FV 5.48926
117 4ZU5 THM 5.55556
118 1Y52 BTN 5.55556
119 3SAO NKN 5.625
120 6FUL E7Z 5.64972
121 3AVR OGA 5.64972
122 4LA7 A1O 5.69948
123 3WUC GLC GAL 5.83942
124 3R96 ACO 5.85106
125 3R96 AMP 5.85106
126 1OI6 TMP 5.85366
127 2ET1 GLV 5.97015
128 6EXF LYS 6.1828
129 2B9F ADP 6.23229
130 2JIG PD2 6.25
131 4NMC FAD 6.25
132 4NMC 2OP 6.25
133 1SWG BTN 6.25
134 1ODM ASV 6.34441
135 4QM9 CYS 6.35838
136 3MPB FRU 6.50407
137 2IUW AKG 6.72269
138 2R40 EPH 6.76692
139 6GBV FMN 6.84932
140 5KWY C3S 6.88259
141 5HV0 AKG 6.91244
142 5YBN AKG 7.00637
143 5YBL AKG 7.00637
144 5A3T MMK 7.06861
145 2Z77 HE7 7.19424
146 4BCS BTN 7.2
147 5ML3 DL3 7.38255
148 2A1L PCW 7.40741
149 5I0U DCY 7.5
150 6F6J SIN 7.5419
151 6F6J CUW 7.5419
152 5EFW FMN 7.58621
153 5A5W GUO 7.90514
154 4HIA FMN 7.95455
155 4HSJ 6PC 8.04598
156 2FXD DR7 8.08081
157 5DJT FMN 8.19672
158 3T2W BTN 8.19672
159 2HKA C3S 8.46154
160 5ZCT ANP 8.49673
161 5IVE 6E8 8.78788
162 3LXK MI1 8.8685
163 3RUG DB6 8.9404
164 5YW0 SIN 9.1195
165 4AFH L0B 9.13043
166 1ZHX HC3 9.13242
167 2Z6D FMN 9.23077
168 1GP6 QUE 9.26966
169 3EW2 BTN 9.62963
170 3VOT ADP 9.64706
171 5OO5 UUA 9.67742
172 2IFB PLM 9.92366
173 1Y0G 8PP 9.94764
174 5TFZ 7BC 10
175 1ZT1 PHE GLU ALA ASN GLY ASN LEU ILE 10
176 5NCJ SIN 10.0746
177 5NCJ HL5 10.0746
178 4WN5 MVC 10.4348
179 4JNJ BTN 10.4348
180 3W21 AKG 10.6227
181 2ZSC BTN 10.6383
182 4NAO AKG 11.0429
183 5FLJ QUE 11.2903
184 5FPX GLY SER SER HIS HIS HIS HIS HIS 11.5044
185 3T03 3T0 11.6197
186 3WW2 SF6 12.1094
187 3WW2 LPK 12.1094
188 4GGZ BTN 12.1739
189 2UZ2 BTN 12.3077
190 4Z28 BTN 13.4328
191 4IGQ OGA 13.6111
192 4IGQ THR M3L GLN 13.6111
193 4EES FMN 13.913
194 3E2M E2M 14.0541
195 3MTX PGT 14.5695
196 2Z6C FMN 14.7287
197 4UF0 MMK 14.7727
198 5LY2 OGA 16.5354
199 5FWE OGA 16.5354
200 6H8P OGA 16.5354
201 1MDC PLM 17.4242
202 4EKV BTN 17.6101
203 2Q0D ATP 17.6471
204 3RDO BTN 18.3007
205 2YG2 S1P 23.8372
206 5JWP AKG 24.4318
207 2Y0I AKG 24.4318
208 4B7E OGA 24.6418
209 1H2M OGA 24.6418
210 1H2K OGA 24.6418
211 2WA4 069 24.6418
212 5L9V OGA 26.3158
213 1E8G FCR 29.4118
214 5JSP DQY 29.8507
215 3P3N AKG 30
216 4BXF AKG 35.2941
217 4G2R H1L 40
218 4IAE 1DX 40
219 4XCB AKG 41.1765
220 4XCB HY0 41.1765
221 2P5B OGA 45.4545
222 4OMJ 2TX 47.0588
223 1OLM VTQ 47.0588
224 3KV5 OGA 47.9508
225 3PUA OGA 47.9592
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