Receptor
PDB id Resolution Class Description Source Keywords
3W21 1.98 Å NON-ENZYME: OTHER CRYSTAL STRUCTURE OF A NOVEL N-SUBSTITUTED L-AMINO ACID DIOX COMPLEX WITH ALPHA-KG FROM BURKHOLDERIA AMBIFARIA AMMD BURKHOLDERIA AMBIFARIA DSBH FOLD DIOXYGENASE ZN ALPHA-KG BINDING OXIDOREDUCTASE
Ref.: CRYSTAL STRUCTURE OF A NOVEL N-SUBSTITUTED L-AMINO DIOXYGENASE FROM BURKHOLDERIA AMBIFARIA AMMD PLOS ONE V. 8 63996 2013
Ligand
Ligand Chain:Residue Validity Ligand Warnings Binding Data NGL Viewer Molecular Weight (Da) Formula SMILES
ZN B:301;
A:301;
Part of Protein;
Part of Protein;
none;
none;
submit data
65.409 Zn [Zn+2...
AKG A:302;
Valid;
none;
submit data
146.098 C5 H6 O5 C(CC(...
View in 3D viewer
90% Homology Family
Leader
PDB id Resolution Class Description Source Keywords
3W21 1.98 Å NON-ENZYME: OTHER CRYSTAL STRUCTURE OF A NOVEL N-SUBSTITUTED L-AMINO ACID DIOX COMPLEX WITH ALPHA-KG FROM BURKHOLDERIA AMBIFARIA AMMD BURKHOLDERIA AMBIFARIA DSBH FOLD DIOXYGENASE ZN ALPHA-KG BINDING OXIDOREDUCTASE
Ref.: CRYSTAL STRUCTURE OF A NOVEL N-SUBSTITUTED L-AMINO DIOXYGENASE FROM BURKHOLDERIA AMBIFARIA AMMD PLOS ONE V. 8 63996 2013
Members (1)
No: PDB id Binding Data Representative ligand Formula Smiles
The Class containing this family consists of a total of 1256 families.
1 3W21 - 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 3W21 - 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 3W21 - 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 : 3W21; Ligand: AKG; Similar sites found: 68
This union binding pocket(no: 1) in the query (biounit: 3w21.bio1) has 11 residues
No: Leader PDB Ligand P-value (APoc) PS_Score (APoc) Sequence Similarity
1 5ML3 DL3 0.02873 0.40754 None
2 5A0R ACE GLU VAL ASN PRO 0.03675 0.40417 1.0101
3 4UF0 MMK 0.0005135 0.48367 1.8315
4 3AVR OGA 0.00006287 0.47965 1.8315
5 3AVS OGA 0.00005597 0.45781 1.8315
6 4BXF AKG 0.000765 0.43194 1.8315
7 5IVE 6E8 0.01349 0.42504 1.8315
8 1OJK GLC BGC 0.008094 0.41841 1.8315
9 2A1X AKG 0.0009914 0.42588 2.1978
10 2XMY CDK 0.04045 0.42295 2.1978
11 4QM9 CYS 0.0003083 0.45719 2.31214
12 4RFR RHN 0.0001418 0.51162 2.46305
13 5F3I 5UJ 0.009623 0.44718 2.5641
14 5FWE OGA 0.007979 0.407 2.5641
15 5LY2 OGA 0.005182 0.40655 2.5641
16 2P5B OGA 0.01537 0.40259 2.5641
17 2Q8C AKG 0.006897 0.40003 2.5641
18 4XCB HY0 0.0002747 0.51337 2.68199
19 4XCB AKG 0.00008994 0.50881 2.68199
20 5HV0 AKG 0.000006183 0.57632 2.76498
21 2RDQ AKG 0.00006672 0.40163 2.9304
22 4GJY OGA 0.0001887 0.47403 2.97872
23 5I0U DCY 0.0006515 0.46842 3
24 2JIG PD2 0.00002031 0.53511 3.125
25 4P7X AKG 0.00002501 0.54951 3.2967
26 4P7X YCP 0.00002501 0.54951 3.2967
27 5JSP DQY 0.002533 0.42867 3.48259
28 5DEY 59T 0.04668 0.41058 3.663
29 2IUW AKG 0.000141 0.44441 3.78151
30 1ZOA 140 0.03017 0.41608 4.0293
31 5C3R HMU 0.00002566 0.42819 4.37318
32 5C3R AKG 0.00002566 0.42819 4.37318
33 1GP6 DH2 0.001961 0.46352 4.3956
34 1GP6 QUE 0.002095 0.46352 4.3956
35 1GP6 SIN 0.001961 0.46352 4.3956
36 1PN0 IPH 0.01083 0.45526 4.3956
37 4L9I 8PR 0.01536 0.41365 4.3956
38 1OIK AKG 0.0003163 0.45643 5.12821
39 1OIJ AKG 0.0008192 0.44405 5.12821
40 4QXB OGA 0.00004566 0.52758 5.49451
41 2FCU AKG 0.0005842 0.43554 5.49451
42 5GUB NGA GCD 0.02584 0.40267 5.49451
43 4BQY FNT 0.0000001507 0.47284 6.34921
44 3HQR OGA 0.00001312 0.46232 6.50407
45 5C5T AKG 0.00006171 0.45788 6.57895
46 1FDQ HXA 0.02084 0.41409 6.87023
47 3P3N AKG 0.0002051 0.46891 6.95971
48 2WA4 069 0.00001535 0.4573 6.95971
49 2XUM OGA 0.0004097 0.4541 6.95971
50 3KV4 OGA 0.0002473 0.45373 6.95971
51 2Y0I AKG 0.0003733 0.44591 6.95971
52 4B7E OGA 0.0005453 0.43959 6.95971
53 1LRH NLA 0.001465 0.45497 7.36196
54 2GJ5 VD3 0.01861 0.42554 7.40741
55 4JZR 4JR 0.001871 0.40013 7.40741
56 2ET1 GLV 0.002246 0.41351 7.9602
57 5A3T MMK 0.01344 0.41609 8.05861
58 3N9Q OGA 0.0002481 0.48845 10.6227
59 3N9O OGA 0.0002867 0.48453 10.6227
60 3N9P OGA 0.0002962 0.48226 10.6227
61 3PUR 2HG 0.0002607 0.45426 10.6227
62 4OCT AKG 0.0001612 0.43549 11.7117
63 4NPL AKG 0.000168 0.45967 12
64 5VZ0 ADP 0.01159 0.40897 13.1868
65 4NAO AKG 0.0009779 0.43924 16.1172
66 3FW4 CAQ 0.009594 0.43161 17.9775
67 1H2K OGA 0.0003009 0.46056 21.9512
68 1H2M OGA 0.0002306 0.46647 28.8462
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