Receptor
PDB id Resolution Class Description Source Keywords
3N9P 2.39 Å EC: 1.14.11.27 CEKDM7A FROM C.ELEGANS, COMPLEX WITH H3K4ME3K27ME2 PEPTIDE A 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
3N9P 2.39 Å EC: 1.14.11.27 CEKDM7A FROM C.ELEGANS, COMPLEX WITH H3K4ME3K27ME2 PEPTIDE A 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 (2)
No: PDB id Binding Data Representative ligand Formula Smiles
The Class containing this family consists of a total of 13 families.
1 3N9P - OGA C4 H5 N O5 C(C(=O)O)N....
2 3N9N - 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 3N9P - OGA C4 H5 N O5 C(C(=O)O)N....
2 3N9N - 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 3N9P - OGA C4 H5 N O5 C(C(=O)O)N....
2 3N9N - 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 : 3N9P; Ligand: OGA; Similar sites found: 63
This union binding pocket(no: 1) in the query (biounit: 3n9p.bio1) has 12 residues
No: Leader PDB Ligand P-value (APoc) PS_Score (APoc) Sequence Similarity
1 1GQG DCD 0.003847 0.45062 1.71429
2 3G4G D71 0.01545 0.40713 2.13777
3 2OG7 SIN 0.002639 0.42063 2.2409
4 2Q8E OGA 0.000325 0.46175 2.27273
5 4XAC AKG 0.00007762 0.49137 2.38095
6 4NPL AKG 0.004635 0.42444 2.4
7 4J25 OGA 0.001505 0.43267 2.62009
8 1OIJ AKG 0.004841 0.40808 2.65781
9 4OCT AKG 0.000169 0.44153 2.7027
10 5FWJ MMK 0.002014 0.41095 2.76008
11 2FCU AKG 0.001246 0.4365 2.8754
12 1LRH NLA 0.0007655 0.42148 3.06748
13 4PSB GA3 0.0364 0.4116 3.22581
14 3SRV S19 0.01679 0.40916 3.40909
15 5EPA AKG 0.00005001 0.48761 3.58423
16 3H9A PPY 0.006731 0.41287 3.7037
17 5KR7 6X9 0.00005043 0.45799 3.78788
18 4YRD 3IT 0.006734 0.40043 3.89972
19 4BQY FNT 0.00006685 0.40452 3.96825
20 3HQR OGA 0.0004332 0.41275 4.06504
21 5L9B AKG 0.0002089 0.43818 4.36508
22 2A1X AKG 0.0006054 0.43371 4.54545
23 4XCB AKG 0.001399 0.42508 4.5977
24 4JZR 4JR 0.000632 0.42772 4.62963
25 5M0T AKG 0.00415 0.41891 4.7619
26 5MEX SZZ 0.04976 0.40414 5.2795
27 5LUN OGA 0.001293 0.42613 5.39773
28 4ZU5 THM 0.01171 0.41528 5.55556
29 3SAO NKN 0.01507 0.41326 5.625
30 3AVS OGA 0.0004521 0.47953 5.64972
31 3WUC GLC GAL 0.02563 0.40282 5.83942
32 3R96 AMP 0.04221 0.40959 5.85106
33 3R96 ACO 0.04221 0.40959 5.85106
34 1OI6 TMP 0.006943 0.41187 5.85366
35 2JIG PD2 0.00255 0.40423 6.25
36 4QM9 CYS 0.0005906 0.46604 6.35838
37 3MPB FRU 0.0004964 0.40648 6.50407
38 2IUW AKG 0.02194 0.41941 6.72269
39 5CAD PCA 0.007475 0.40227 6.88775
40 5HV0 AKG 0.0004015 0.49332 6.91244
41 5A3T MMK 0.004833 0.45129 7.06861
42 5I0U DCY 0.0002343 0.48929 7.5
43 3EW2 BTN 0.001933 0.4056 9.62963
44 3W21 AKG 0.0002962 0.48226 10.6227
45 1QKQ MAN 0.01627 0.42061 11.2676
46 3T03 3T0 0.01361 0.41332 11.6197
47 3MTX PGT 0.03648 0.41126 14.5695
48 4UF0 MMK 0.001625 0.45956 14.7727
49 1ND2 MYR 0.004522 0.43465 16.1765
50 5LY2 OGA 0.0002275 0.47942 16.5354
51 5FWE OGA 0.0003063 0.47156 16.5354
52 1MDC PLM 0.01587 0.41776 17.4242
53 5UQD AKG 0.00009855 0.50535 18.75
54 4IGQ OGA 0.000971 0.42007 18.75
55 4IGQ THR M3L GLN 0.009222 0.41783 18.75
56 5V1B 8UY 0.0003167 0.45198 21.875
57 4M26 AKG 0.003012 0.41951 21.875
58 5C5T AKG 0.001672 0.41162 25
59 5L9V OGA 0.0001457 0.44294 26.3158
60 5JSP DQY 0.004445 0.41119 29.8507
61 2P5B OGA 0.0003877 0.42416 45.4545
62 3KV5 OGA 0.0000000000724 0.814 47.9508
63 3PUA OGA 0.0000001885 0.61409 47.9592
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