Receptor
PDB id Resolution Class Description Source Keywords
3PUA 1.89 Å NON-ENZYME: OTHER PHF2 JUMONJI-NOG-NI(II) HOMO SAPIENS ALPHA-KETOGLUTARATE-FE2+ DEPENDENT DIOXYGENASES HISTONE TAIPROTEIN PROTEIN BINDING
Ref.: STRUCTURAL BASIS FOR HUMAN PHF2 JUMONJI DOMAIN INTE WITH METAL IONS. J.MOL.BIOL. V. 406 1 2011
Ligand
Ligand Chain:Residue Validity Ligand Warnings Binding Data NGL Viewer Molecular Weight (Da) Formula SMILES
CL A:453;
Invalid;
none;
submit data
35.453 Cl [Cl-]
EDO A:1;
A:10;
A:11;
A:3;
A:4;
A:452;
A:5;
A:6;
A:7;
A:8;
A:9;
Invalid;
Invalid;
Invalid;
Invalid;
Invalid;
Invalid;
Invalid;
Invalid;
Invalid;
Invalid;
Invalid;
none;
none;
none;
none;
none;
none;
none;
none;
none;
none;
none;
submit data
62.068 C2 H6 O2 C(CO)...
NI A:2;
Part of Protein;
none;
submit data
58.693 Ni [Ni+2...
OGA A:454;
Valid;
none;
submit data
147.086 C4 H5 N O5 C(C(=...
View in 3D viewer
90% Homology Family
Leader
PDB id Resolution Class Description Source Keywords
3PUA 1.89 Å NON-ENZYME: OTHER PHF2 JUMONJI-NOG-NI(II) HOMO SAPIENS ALPHA-KETOGLUTARATE-FE2+ DEPENDENT DIOXYGENASES HISTONE TAIPROTEIN PROTEIN BINDING
Ref.: STRUCTURAL BASIS FOR HUMAN PHF2 JUMONJI DOMAIN INTE WITH METAL IONS. J.MOL.BIOL. V. 406 1 2011
Members (4)
No: PDB id Binding Data Representative ligand Formula Smiles
The Class containing this family consists of a total of 1256 families.
1 3PU3 - OGA C4 H5 N O5 C(C(=O)O)N....
2 3PUS - OGA C4 H5 N O5 C(C(=O)O)N....
3 3PU8 - OGA C4 H5 N O5 C(C(=O)O)N....
4 3PUA - OGA C4 H5 N O5 C(C(=O)O)N....
70% Homology Family (4)
No: PDB id Binding Data Representative ligand Formula Smiles
The Class containing this family consists of a total of 1068 families.
1 3PU3 - OGA C4 H5 N O5 C(C(=O)O)N....
2 3PUS - OGA C4 H5 N O5 C(C(=O)O)N....
3 3PU8 - OGA C4 H5 N O5 C(C(=O)O)N....
4 3PUA - OGA C4 H5 N O5 C(C(=O)O)N....
50% Homology Family (5)
No: PDB id Binding Data Representative ligand Formula Smiles
The Class containing this family consists of a total of 922 families.
1 3KV5 - OGA C4 H5 N O5 C(C(=O)O)N....
2 3PU3 - OGA C4 H5 N O5 C(C(=O)O)N....
3 3PUS - OGA C4 H5 N O5 C(C(=O)O)N....
4 3PU8 - OGA C4 H5 N O5 C(C(=O)O)N....
5 3PUA - 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 : 3PUA; Ligand: OGA; Similar sites found: 107
This union binding pocket(no: 1) in the query (biounit: 3pua.bio1) has 13 residues
No: Leader PDB Ligand P-value (APoc) PS_Score (APoc) Sequence Similarity
1 5C3R AKG 0.0003021 0.4166 1.16618
2 5C3R HMU 0.0003021 0.4166 1.16618
3 1OIK AKG 0.002474 0.4223 1.66113
4 1OIJ AKG 0.001578 0.41875 1.66113
5 1GP6 SIN 0.005621 0.4435 1.68539
6 1GP6 QUE 0.006003 0.4435 1.68539
7 5A3T MMK 0.0002601 0.52199 1.78571
8 4M26 AKG 0.002278 0.43471 1.92308
9 4NPL AKG 0.001566 0.44244 2
10 4BG1 IVL 0.00685 0.4326 2.06718
11 1OS7 TAU 0.002659 0.45419 2.12014
12 4OCT AKG 0.0005105 0.4763 2.25225
13 4C0C WVH 0.0171 0.42402 2.29592
14 5D2H AKG 0.02291 0.40164 2.4735
15 3PQB VGP 0.02897 0.40204 2.55102
16 5FWE OGA 0.0003383 0.47461 2.62467
17 5LY2 OGA 0.00034 0.4743 2.62467
18 2OS2 OGA 0.0006723 0.46122 2.62467
19 2YBP 2HG 0.0009154 0.45448 2.62467
20 5C5T AKG 0.00004819 0.49186 2.63158
21 4NAO AKG 0.0001894 0.459 2.76074
22 5F3I 5UJ 0.0001945 0.55446 2.77778
23 2Q8E OGA 0.000693 0.46048 2.84091
24 4EN4 ATP 0.01343 0.43897 2.88462
25 4EN4 GT1 0.01343 0.43897 2.88462
26 4EN4 GT0 0.01343 0.43897 2.88462
27 2A1X AKG 0.00006784 0.46106 2.92208
28 1ODM ASV 0.0001771 0.52308 3.02115
29 3AVR OGA 0.0003245 0.4766 3.06122
30 3AVS OGA 0.0008732 0.46163 3.06122
31 4UF0 MMK 0.005716 0.42851 3.06122
32 2FCU AKG 0.00028 0.47974 3.19489
33 3E2M E2M 0.01839 0.41573 3.24324
34 2OG7 SIN 0.00123 0.42283 3.36134
35 4BQY FNT 0.000008913 0.44268 3.57143
36 1ZB6 GST 0.03786 0.40526 3.58306
37 1ZB6 DIN 0.03599 0.40526 3.58306
38 3HQR OGA 0.00008815 0.51802 3.65854
39 2C4I BTN 0.0202 0.40247 3.69004
40 1YKD CMP 0.01409 0.41348 3.82653
41 3O3U MLR 0.02016 0.40243 3.82653
42 4IRL MTT 0.02411 0.40021 3.82653
43 4GJY OGA 0.0000606 0.49437 3.82979
44 4JZR 4JR 0.0001226 0.50633 4.16667
45 2IUW AKG 0.0007987 0.46472 4.20168
46 4R38 RBF 0.0244 0.4046 4.28571
47 4LIT AKG 0.002808 0.43039 4.33673
48 1SU2 ATP 0.009143 0.42417 4.40252
49 1N5S ADL 0.003637 0.44199 4.46429
50 1Q23 FUA 0.01507 0.41387 4.56621
51 4BXF AKG 0.002951 0.42793 4.59184
52 4XCB HY0 0.0001898 0.52473 4.5977
53 4XCB AKG 0.00007073 0.51375 4.5977
54 2RDQ AKG 0.001714 0.46462 4.86111
55 3MPB FRU 0.0005138 0.41975 4.87805
56 5KR7 6X9 0.0005861 0.42884 4.90463
57 2JIG PD2 0.0005593 0.47115 4.91071
58 2GJ5 VD3 0.01635 0.43414 4.93827
59 4PIV NDP 0.04161 0.40507 5.10204
60 1F1V DHY 0.006621 0.41803 5.26316
61 5FWJ MMK 0.00008064 0.48587 5.35714
62 5I0U DCY 0.00000698 0.57003 5.5
63 1DRY AAG 0.0009542 0.48746 5.55556
64 3N0Y APC 0.0146 0.42102 5.58659
65 4P7X AKG 0.0008502 0.47339 5.82192
66 4P7X YCP 0.0008502 0.40942 5.82192
67 4K3H 1OM 0.02322 0.4063 5.9322
68 2VGQ MTT 0.02161 0.40255 6.12245
69 1MH5 HAL 0.007897 0.43742 6.52174
70 1MJJ HAL 0.0126 0.42748 6.60793
71 2JEN GLC GLC BGC XYS BGC XYS 0.02725 0.40388 6.89655
72 5HV0 AKG 0.0001328 0.51176 6.91244
73 2TPS TPS 0.03533 0.40206 7.04846
74 4BCS BTN 0.009227 0.41999 7.2
75 4W6Z 8ID 0.03918 0.41109 7.20461
76 2ET1 GLV 0.006039 0.41559 7.46269
77 2QZ3 XYP XYP XYP 0.02783 0.40338 7.56757
78 5JSP DQY 0.0003714 0.47495 7.9602
79 1N07 FMN 0.02659 0.41704 7.97546
80 2GC0 PAN 0.01779 0.40791 7.97872
81 2Z93 END 0.02023 0.40228 8.25688
82 1MEX RAC 0.01852 0.40007 8.37209
83 4QM9 CYS 0.000568 0.45117 9.24856
84 3OPT AKG 0.0009913 0.45248 9.65147
85 2Y0I AKG 0.00003004 0.52622 9.94318
86 1J3R 6PG 0.009099 0.41456 10
87 3P3N AKG 0.000008937 0.55117 10.0287
88 4B7E OGA 0.00001629 0.53948 10.0287
89 1H2K OGA 0.00001012 0.53041 10.0287
90 2WA4 069 0.0000093 0.50199 10.0287
91 2XUM OGA 0.000007172 0.53733 10.3152
92 4RFR RHN 0.002457 0.4523 10.8374
93 3EW2 BTN 0.0125 0.40581 11.1111
94 1H2M OGA 0.000007538 0.55329 11.5385
95 4OJ8 AKG 0.00002948 0.43169 11.6041
96 1LRH NLA 0.0002646 0.49129 11.6564
97 1NX4 AKG 0.0004085 0.47219 12.0879
98 5FLJ QUE 0.002908 0.45362 12.9032
99 4BJ8 BTN 0.02094 0.40226 14.2857
100 1NCQ W11 0.01324 0.41613 14.7059
101 3SAO NKN 0.009871 0.41744 20.625
102 2P5B OGA 0.0008661 0.46754 36.3636
103 2Q8C AKG 0.0004323 0.46899 46.6667
104 3N9Q OGA 0.00000009486 0.6282 47.9592
105 3N9O OGA 0.00000009688 0.62777 47.9592
106 3N9P OGA 0.0000001885 0.61409 47.9592
107 3PUR 2HG 0.000001955 0.58836 47.9592
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