Receptor
PDB id Resolution Class Description Source Keywords
5UQD 1.8 Å NON-ENZYME: OTHER DPY-21 IN COMPLEX WITH FE(II) AND ALPHA-KETOGLUTARATE CAENORHABDITIS ELEGANS OXIDOREDUCTASE JMJC H4K20ME2 DEMETHYLASE
Ref.: DYNAMIC CONTROL OF X CHROMOSOME CONFORMATION AND RE BY A HISTONE H4K20 DEMETHYLASE. CELL 2017
Ligand
Ligand Chain:Residue Validity Ligand Warnings Binding Data NGL Viewer Molecular Weight (Da) Formula SMILES
PG0 A:1703;
A:1704;
Invalid;
Invalid;
none;
none;
submit data
120.147 C5 H12 O3 COCCO...
AKG A:1701;
Valid;
none;
submit data
146.098 C5 H6 O5 C(CC(...
FE2 A:1702;
Part of Protein;
none;
submit data
55.845 Fe [Fe+2...
View in 3D viewer
90% Homology Family
Leader
PDB id Resolution Class Description Source Keywords
5UQD 1.8 Å NON-ENZYME: OTHER DPY-21 IN COMPLEX WITH FE(II) AND ALPHA-KETOGLUTARATE CAENORHABDITIS ELEGANS OXIDOREDUCTASE JMJC H4K20ME2 DEMETHYLASE
Ref.: DYNAMIC CONTROL OF X CHROMOSOME CONFORMATION AND RE BY A HISTONE H4K20 DEMETHYLASE. CELL 2017
Members (1)
No: PDB id Binding Data Representative ligand Formula Smiles
The Class containing this family consists of a total of 1256 families.
1 5UQD - 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 1068 families.
1 5UQD - 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 922 families.
1 5UQD - AKG C5 H6 O5 C(CC(=O)O)....
Polypharmacology
Similar Ligands
Ligand no: 1; Ligand: AKG; Similar ligands found: 6
No: Ligand ECFP6 Tc MDL keys Tc
1 AKG 1 1
2 OOG 0.5 0.947368
3 69O 0.458333 0.714286
4 2IT 0.423077 0.615385
5 SHF 0.416667 0.666667
6 3PY 0.409091 0.652174
Similar Binding Sites (Proteins are less than 50% similar to leader)
Pocket No.: 1; Query (leader) PDB : 5UQD; Ligand: AKG; Similar sites found: 95
This union binding pocket(no: 1) in the query (biounit: 5uqd.bio1) has 12 residues
No: Leader PDB Ligand P-value (APoc) PS_Score (APoc) Sequence Similarity
1 3WN0 FUB 0.01565 0.4135 1.36986
2 3ILR IXD 0.0397 0.41848 1.62162
3 3ILR SGN 0.0397 0.41848 1.62162
4 3MPB FRU 0.0005368 0.4057 1.62602
5 5F3I 5UJ 0.00005461 0.5877 1.66667
6 2P5B OGA 0.00001661 0.55793 1.70455
7 2Q8C AKG 0.000007155 0.55732 1.70455
8 2Q8E OGA 0.00001077 0.55277 1.70455
9 3ZDS OMD 0.008674 0.40869 2.07852
10 3ZDS HMQ 0.01014 0.40707 2.07852
11 3ZDS HQ9 0.008091 0.40698 2.07852
12 4O8O AHR 0.01871 0.40208 2.08333
13 3OPT AKG 0.0000117 0.52974 2.14477
14 4IJP 1EH 0.02245 0.40588 2.23464
15 2OG7 SIN 0.003186 0.41451 2.2409
16 1OIJ AKG 0.00176 0.42631 2.32558
17 3N9Q OGA 0.00009969 0.50529 2.48869
18 3N9O OGA 0.0001117 0.50233 2.48869
19 3PUR 2HG 0.0003823 0.46185 2.48869
20 2FCU AKG 0.003583 0.42199 2.55591
21 4QPW XYP XYP XYP 0.01574 0.40632 2.8169
22 4XVX P33 FDA 0.04183 0.40475 2.82776
23 1GQG DCD 0.00365 0.44795 2.85714
24 2JDR L20 0.01743 0.44457 2.92398
25 2JDR GLY ARG PRO ARG THR THR SER PHE ALA GLU 0.01743 0.44457 2.92398
26 1DQX BMP 0.01994 0.41092 2.99625
27 4OCT AKG 0.0003852 0.42804 3.15315
28 5X7Q GLC GLC GLC BGC 0.02677 0.40416 3.16742
29 5HV0 AKG 0.00006527 0.53028 3.22581
30 4Y3O OGA 0.002136 0.42835 3.39367
31 4CCK OGA 0.003307 0.41848 3.39367
32 3W9K MYR 0.006518 0.43047 3.59712
33 3AVS OGA 0.0000001322 0.66185 3.61991
34 5A3T MMK 0.00003178 0.57367 3.61991
35 3AVR OGA 0.000001663 0.57024 3.61991
36 4UF0 MMK 0.001525 0.45804 3.61991
37 5FWJ MMK 0.001583 0.41464 3.61991
38 4B1M FRU FRU 0.005745 0.41396 3.78378
39 5KR7 6X9 0.00001226 0.47359 3.81471
40 4XCB AKG 0.003759 0.42873 3.83142
41 4XCB HY0 0.01149 0.42833 3.83142
42 4BXF AKG 0.002766 0.41867 3.84615
43 2IXC TRH 0.02301 0.40203 3.9604
44 3RGA LSB 0.009068 0.41944 4.0724
45 1H2T GDP 7MG 0.02206 0.40443 4.0724
46 1J3R 6PG 0.007634 0.41614 4.21053
47 4P7X AKG 0.002849 0.451 4.45205
48 4P7X YCP 0.002849 0.451 4.45205
49 5FP3 3JI 0.0000007615 0.4418 4.75113
50 5C5T AKG 0.0006339 0.4289 4.82456
51 5IVE 6E8 0.0008341 0.49799 4.84848
52 1DE6 RNS 0.01243 0.41085 5.16432
53 2A1X AKG 0.0003075 0.4467 5.19481
54 4RFR RHN 0.006512 0.4283 5.41872
55 4NPL AKG 0.00075 0.46013 5.6
56 1LRH NLA 0.005598 0.42853 5.65611
57 5LY2 OGA 0.000005926 0.56165 5.77428
58 5FWE OGA 0.000008703 0.55288 5.77428
59 2YBP 2HG 0.00001031 0.53236 5.77428
60 2OS2 OGA 0.00001214 0.52907 5.77428
61 1GP6 SIN 0.007588 0.43893 6.46067
62 1GP6 DH2 0.007588 0.43893 6.46067
63 1GP6 QUE 0.008078 0.43893 6.46067
64 1DRY AAG 0.005756 0.44739 6.48148
65 1DRY AKG 0.005756 0.44739 6.48148
66 3T0X DIW 0.01108 0.41663 6.50407
67 1Y13 BIO 0.008144 0.41252 6.62983
68 1QFT HSM 0.02155 0.40029 7.42857
69 2YVE MBT 0.01917 0.40177 7.56757
70 2JIG PD2 0.0007686 0.46602 7.58929
71 2RDQ AKG 0.0009162 0.47675 7.69231
72 4M82 NGB 0.02623 0.40174 7.91855
73 4RPO T6C 0.03421 0.40923 8.07175
74 1VYF OLA 0.02339 0.40762 8.14815
75 4ZU4 4TG 0.003199 0.4432 8.78378
76 1X0P FAD 0.01825 0.40275 9.09091
77 2IUW AKG 0.04573 0.40358 9.2437
78 5T2Z 017 0.0364 0.40348 10.101
79 5FLJ QUE 0.008397 0.42529 10.2151
80 5TFZ 7BC 0.003419 0.43243 10.6667
81 2ARC ARA 0.01209 0.40524 10.9756
82 1ODM ASV 0.0002889 0.51645 11.7825
83 4GJY OGA 0.00001471 0.54109 11.9149
84 5I0U DCY 0.0001865 0.50284 12
85 1FMB HYB 0.03667 0.41008 12.5
86 2ZMF CMP 0.0151 0.4107 12.6984
87 4M26 ZZU 0.008077 0.43752 15.3846
88 4M26 SIN 0.008077 0.43752 15.3846
89 4M26 AKG 0.002171 0.43632 15.3846
90 1MHC FME TYR PHE ILE ASN ILE LEU THR LEU 0.04462 0.40685 16.1616
91 4QXB OGA 0.0000155 0.5558 16.1765
92 4QM9 CYS 0.0009924 0.45715 16.185
93 3N9P OGA 0.00009855 0.50535 18.75
94 2XUM OGA 0.00002426 0.53312 25
95 3KV4 OGA 0.0002661 0.48571 25
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