Receptor
PDB id Resolution Class Description Source Keywords
3N9Q 2.3 Å EC: 1.14.11.27 CEKDM7A FROM C.ELEGANS, COMPLEX WITH H3K4ME3 PEPTIDE, H3K27M 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
3N9Q 2.3 Å EC: 1.14.11.27 CEKDM7A FROM C.ELEGANS, COMPLEX WITH H3K4ME3 PEPTIDE, H3K27M 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 3N9Q - 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 8 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 : 3N9Q; Ligand: OGA; Similar sites found: 73
This union binding pocket(no: 1) in the query (biounit: 3n9q.bio1) has 12 residues
No: Leader PDB Ligand P-value (APoc) PS_Score (APoc) Sequence Similarity
1 1GQG DCD 0.003977 0.45004 1.71429
2 5HES 032 0.0319 0.40173 1.9544
3 3G4G D71 0.01003 0.42075 2.13777
4 2OG7 SIN 0.003361 0.41533 2.2409
5 4XAC AKG 0.00005268 0.49939 2.38095
6 4NPL AKG 0.004714 0.42471 2.4
7 5UQD AKG 0.00009969 0.50529 2.48869
8 4J25 OGA 0.001556 0.43202 2.62009
9 1HZP DAO 0.04786 0.40489 2.68657
10 4OCT AKG 0.0002311 0.43694 2.7027
11 5FWJ MMK 0.002003 0.41214 2.76008
12 2FCU AKG 0.00145 0.44613 2.8754
13 1LRH NLA 0.0005117 0.42748 3.06748
14 5EPA AKG 0.00003319 0.49548 3.58423
15 3H7J PPY 0.0008306 0.40081 3.7037
16 5KR7 6X9 0.00004492 0.45954 3.78788
17 2ZID GLC GLC GLC 0.02298 0.40108 3.78788
18 4YRD 3IT 0.006174 0.40854 3.89972
19 4RFR RHN 0.002536 0.45114 3.94089
20 4BQY FNT 0.00009691 0.40121 3.96825
21 3HQR OGA 0.0006321 0.41174 4.06504
22 4M26 AKG 0.003979 0.41382 4.12088
23 5L9B AKG 0.0003128 0.43204 4.36508
24 1KQW RTL 0.01486 0.41329 4.47761
25 1SLT NDG GAL 0.001887 0.41093 4.47761
26 2A1X AKG 0.0004443 0.43986 4.54545
27 4XCB AKG 0.001557 0.42306 4.5977
28 4JZR 4JR 0.0009155 0.42154 4.62963
29 5M0T AKG 0.003642 0.42174 4.7619
30 5LUN OGA 0.001331 0.42568 5.39773
31 4ZU5 THM 0.01004 0.41876 5.55556
32 3SAO NKN 0.01639 0.41117 5.625
33 3AVS OGA 0.0003997 0.48186 5.64972
34 2RKV COA 0.04342 0.40647 5.76497
35 3WUC GLC GAL 0.02407 0.40448 5.83942
36 3R96 AMP 0.02825 0.42057 5.85106
37 3R96 ACO 0.02825 0.42057 5.85106
38 1OI6 TMP 0.008762 0.40526 5.85366
39 4BXF AKG 0.007067 0.40044 6.33484
40 1ODM ASV 0.0002873 0.51585 6.34441
41 4QM9 CYS 0.0004978 0.47026 6.35838
42 3MPB FRU 0.0005217 0.40576 6.50407
43 2IUW AKG 0.02843 0.41276 6.72269
44 5HV0 AKG 0.0004808 0.48842 6.91244
45 5A3T MMK 0.004115 0.45486 7.06861
46 2A1L PCW 0.01279 0.44519 7.40741
47 5I0U DCY 0.0002061 0.49158 7.5
48 4TW7 37K 0.01384 0.42384 7.8125
49 3EW2 BTN 0.00125 0.41223 9.62963
50 3W21 AKG 0.0002481 0.48845 10.6227
51 1QKQ MAN 0.01557 0.42362 11.2676
52 5FLJ QUE 0.007839 0.43064 11.2903
53 3T03 3T0 0.009598 0.4209 11.6197
54 3H0A D30 0.03536 0.40237 12.1324
55 4IGQ THR M3L GLN 0.008521 0.41966 13.6111
56 4IGQ OGA 0.001091 0.41552 13.6111
57 3MTX PGT 0.04713 0.40415 14.5695
58 4UF0 MMK 0.001794 0.45696 14.7727
59 1ND2 MYR 0.006101 0.42764 16.1765
60 5LY2 OGA 0.0001875 0.48478 16.5354
61 5FWE OGA 0.0002899 0.47344 16.5354
62 1MDC PLM 0.01966 0.41117 17.4242
63 3RDO BTN 0.01369 0.40535 18.3007
64 2H12 OAA 0.01401 0.40328 23.5294
65 5L9V OGA 0.000213 0.43715 26.3158
66 5JSP DQY 0.00305 0.41897 29.8507
67 5V1B 8UY 0.0004393 0.44598 35.2941
68 1OIJ AKG 0.002629 0.42347 35.2941
69 4NMC FAD 0.02578 0.41974 35.2941
70 4NMC 2OP 0.02479 0.41974 35.2941
71 5C5T AKG 0.002083 0.40804 47.0588
72 3KV5 OGA 0.00000000001435 0.85487 47.9508
73 3PUA OGA 0.00000009486 0.6282 47.9592
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