Receptor
PDB id Resolution Class Description Source Keywords
5b0j 2.5 Å NON-ENZYME: BINDING STRUCTURE OF MOEN5-SSO7D FUSION PROTEIN IN COMPLEX WITH BETA MALTOSIDE STREPTOMYCES GHANAENSIS, SULFOLOBUS SOLFATARICUS (STRAIN ATCC 35092 / DSM 1617 / JCM 11322 / P2ORGANISM_TAXID: 35758, 273057 PRENYLTRANSFERASE ALPHA-HELICAL FOLD FUSION TAG COMPLEX TRANSFERASE DNA BINDING PROTEIN
Ref.: MOENOMYCIN BIOSYNTHESIS: STRUCTURE AND MECHANISM OF OF THE PRENYLTRANSFERASE MOEN5. ANGEW.CHEM.INT.ED.ENGL. V. 55 4716 2016
Ligand
Ligand Chain:Residue Validity Ligand Warnings Binding Data NGL Viewer Molecular Weight (Da) Formula SMILES
UMQ C:401;
D:401;
 Valid;
Valid;
 none;
none;
 submit data
496.589 C23 H44 O11 CCCCC...
View in 3D viewer
90% Homology Family
Leader
PDB id Resolution Class Description Source Keywords
5B0I 2.26 Å NON-ENZYME: BINDING STRUCTURE OF MOEN5-SSO7D FUSION PROTEIN IN COMPLEX WITH BETA GLUCOSIDE STREPTOMYCES GHANAENSIS, SULFOLOBUS SOLFATARICUS (STRAIN ATCC 35092 / DSM 1617 / JCM 11322 / P2ORGANISM_TAXID: 35758, 273057 PRENYLTRANSFERASE ALPHA-HELICAL FOLD FUSION TAG LIGAND COTRANSFERASE DNA BINDING PROTEIN
Ref.: MOENOMYCIN BIOSYNTHESIS: STRUCTURE AND MECHANISM OF OF THE PRENYLTRANSFERASE MOEN5. ANGEW.CHEM.INT.ED.ENGL. V. 55 4716 2016
Members (3)
No: PDB id Binding Data Representative ligand Formula Smiles
The Class containing this family consists of a total of 552 families.
1 5B0J - UMQ C23 H44 O11 CCCCCCCCCC....
2 5B0I - BOG C14 H28 O6 CCCCCCCCO[....
3 6J8W - C0X C20 H35 O7 P CC(=CCC/C(....
70% Homology Family (3)
No: PDB id Binding Data Representative ligand Formula Smiles
The Class containing this family consists of a total of 426 families.
1 5B0J - UMQ C23 H44 O11 CCCCCCCCCC....
2 5B0I - BOG C14 H28 O6 CCCCCCCCO[....
3 6J8W - C0X C20 H35 O7 P CC(=CCC/C(....
50% Homology Family (3)
No: PDB id Binding Data Representative ligand Formula Smiles
The Class containing this family consists of a total of 322 families.
1 5B0J - UMQ C23 H44 O11 CCCCCCCCCC....
2 5B0I - BOG C14 H28 O6 CCCCCCCCO[....
3 6J8W - C0X C20 H35 O7 P CC(=CCC/C(....
Polypharmacology
Similar Ligands (2D)
Ligand no: 1; Ligand: UMQ; Similar ligands found: 85
No: Ligand ECFP6 Tc MDL keys Tc
1 LMU 1 1
2 UMQ 1 1
3 DMU 1 1
4 LMT 1 1
5 GLC NBU GAL GLA 0.8 0.928571
6 6UZ 0.738462 0.840909
7 BGC 5VQ GAL GLA 0.721311 0.880952
8 BNG 0.719298 0.952381
9 BOG 0.719298 0.952381
10 HSJ 0.719298 0.952381
11 B7G 0.701754 0.952381
12 KGM 0.701754 0.952381
13 GLC EDO GLC 0.683333 0.790698
14 MA4 0.676056 0.880952
15 AFO 0.666667 0.863636
16 CM5 0.661972 0.880952
17 BHG 0.655172 0.928571
18 HEX GLC 0.655172 0.928571
19 JZR 0.655172 0.928571
20 10M 0.583333 0.933333
21 BGC GLA GAL 0.566667 0.785714
22 MGL GAL 0.564516 0.790698
23 BHE 0.561644 0.976744
24 CQX 0.558824 0.930233
25 BGC SPH GAL DAO 0.55814 0.777778
26 BGC SPH GAL OLA 0.55814 0.777778
27 DEG 0.55 0.857143
28 OPM MAN MAN 0.546667 0.97619
29 L6T 0.535211 0.976744
30 HSH GLA FUC 0.532468 0.976744
31 AOG FUC 0.526316 0.807692
32 MAN BMA BMA BMA BMA BMA BMA 0.523077 0.785714
33 GLC GLC GLC GLC BGC GLC GLC 0.523077 0.785714
34 BGC BGC BGC BGC BGC BGC BGC BGC BGC 0.523077 0.785714
35 BGC SPH GAL OCA 0.521739 0.75
36 BGC 18C GAL 0.521739 0.75
37 4YA 0.513514 0.976744
38 LSE 0.506667 0.698113
39 GLC GLC GLC GLC GLC GLC GLC GLC GLC 0.506667 0.785714
40 BGC XGP 0.492754 0.647059
41 XNS 0.486111 0.863636
42 DR4 0.486111 0.863636
43 NAG GAL BGC GAL 0.481481 0.641509
44 AIG FUC 0.480519 0.807692
45 IGC 0.48 0.75
46 LGN 0.48 0.75
47 G2F SHG BGC BGC 0.478873 0.717391
48 MAN BMA BMA 0.478873 0.790698
49 BMA BMA BMA BMA GLA 0.467532 0.785714
50 GPM GLC 0.464789 0.666667
51 U2D GLC 0.461538 0.976744
52 G2F BGC BGC BGC BGC BGC 0.459459 0.73913
53 BGC BGC BGC BGC BGC BGC BGC BGC 0.459459 0.785714
54 BQZ 0.459016 0.714286
55 FK9 0.457143 0.863636
56 BGL 0.455882 0.952381
57 GLC GLC GLC GLC GLC 0.454545 0.785714
58 BGC GLC GLC GLC 0.454545 0.785714
59 FRU BGC BGC BGC 0.453333 0.73913
60 BGC ERA GAL 0.451923 0.736842
61 G2I 0.447368 0.666667
62 G3I 0.447368 0.666667
63 BGC OXZ BGC 0.447368 0.607143
64 MBG GLA 0.446154 0.790698
65 DA8 0.444444 0.931818
66 BGC GAL GLA 0.444444 0.785714
67 SOR GLC GLC 0.441558 0.767442
68 BGC GLC GLC 0.44 0.785714
69 XYS GLC GLC 0.435897 0.767442
70 GLC BGC BGC 0.43038 0.75
71 GLO GLC GLC 0.426829 0.75
72 GLC GLC G6D ADH GLC GLC 0.425 0.6
73 MGL SGC BGC BGC 0.421687 0.73913
74 NAG GAL 0.418919 0.641509
75 GAL GLA 0.41791 0.785714
76 GLO GLC GLC GLC 0.416667 0.75
77 BGC GAL NGA GAL 0.416667 0.641509
78 FUC GAL 0.414286 0.785714
79 BMA BMA BMA BMA GLA BMA GLA 0.409091 0.733333
80 MAN IPD MAN 0.408451 0.647059
81 GTM BGC BGC 0.407407 0.73913
82 MBG GAL 0.405797 0.790698
83 MGL SGC 0.402778 0.73913
84 BHG FUC 0.402439 0.931818
85 RR7 GLC 0.4 0.790698
Similar Ligands (3D)
Ligand no: 1; Ligand: UMQ; Similar ligands found: 0
No: Ligand Similarity coefficient
Similar Binding Sites (Proteins are less than 50% similar to leader)
Pocket No.: 1; Query (leader) PDB : 5B0I; Ligand: BOG; Similar sites found with APoc: No similar binding sites found, or similarity not calculated due to duplicate pocket.
This union binding pocket(no: 1) in the query (biounit: 5b0i.bio1) has 16 residues
No: Leader PDB Ligand Sequence Similarity
Pocket No.: 2; Query (leader) PDB : 5B0I; Ligand: BOG; Similar sites found with APoc: No similar binding sites found, or similarity not calculated due to duplicate pocket.
This union binding pocket(no: 2) in the query (biounit: 5b0i.bio1) has 13 residues
No: Leader PDB Ligand Sequence Similarity
Pocket No.: 3; Query (leader) PDB : 5B0I; Ligand: BOG; Similar sites found with APoc: No similar binding sites found, or similarity not calculated due to duplicate pocket.
This union binding pocket(no: 3) in the query (biounit: 5b0i.bio1) has 16 residues
No: Leader PDB Ligand Sequence Similarity
Pocket No.: 4; Query (leader) PDB : 5B0I; Ligand: BOG; Similar sites found with APoc: No similar binding sites found, or similarity not calculated due to duplicate pocket.
This union binding pocket(no: 4) in the query (biounit: 5b0i.bio2) has 25 residues
No: Leader PDB Ligand Sequence Similarity
Pocket No.: 5; Query (leader) PDB : 5B0I; Ligand: BOG; Similar sites found with APoc: No similar binding sites found, or similarity not calculated due to duplicate pocket.
This union binding pocket(no: 5) in the query (biounit: 5b0i.bio2) has 32 residues
No: Leader PDB Ligand Sequence Similarity
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