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 (2)
No: PDB id Binding Data Representative ligand Formula Smiles
The Class containing this family consists of a total of 510 families.
1 5B0J - UMQ C23 H44 O11 CCCCCCCCCC....
2 5B0I - BOG C14 H28 O6 CCCCCCCCO[....
70% Homology Family (2)
No: PDB id Binding Data Representative ligand Formula Smiles
The Class containing this family consists of a total of 391 families.
1 5B0J - UMQ C23 H44 O11 CCCCCCCCCC....
2 5B0I - BOG C14 H28 O6 CCCCCCCCO[....
50% Homology Family (2)
No: PDB id Binding Data Representative ligand Formula Smiles
The Class containing this family consists of a total of 298 families.
1 5B0J - UMQ C23 H44 O11 CCCCCCCCCC....
2 5B0I - BOG C14 H28 O6 CCCCCCCCO[....
Polypharmacology
Similar Ligands
Ligand no: 1; Ligand: UMQ; Similar ligands found: 149
No: Ligand ECFP6 Tc MDL keys Tc
1 UMQ 1 1
2 LMT 1 1
3 DMU 1 1
4 LMU 1 1
5 GLA GAL GLC NBU 0.8 0.928571
6 6UZ 0.738462 0.840909
7 GLA GAL BGC 5VQ 0.721311 0.880952
8 HSJ 0.719298 0.952381
9 BOG 0.719298 0.952381
10 BNG 0.719298 0.952381
11 B7G 0.701754 0.952381
12 KGM 0.701754 0.952381
13 MAL EDO 0.683333 0.790698
14 MA4 0.676056 0.880952
15 GLA EGA 0.666667 0.833333
16 AFO 0.666667 0.863636
17 CM5 0.661972 0.880952
18 JZR 0.655172 0.928571
19 BHG 0.655172 0.928571
20 GLC HEX 0.655172 0.928571
21 10M 0.583333 0.933333
22 BGB 0.578947 0.976744
23 LAT GLA 0.566667 0.785714
24 MMA MAN 0.564516 0.790698
25 DR5 0.564516 0.790698
26 BHE 0.561644 0.976744
27 LAT SPH OLA 0.55814 0.777778
28 LAT SPH DAO 0.55814 0.777778
29 DEG 0.55 0.857143
30 OPM MAN MAN 0.546667 0.97619
31 AOG FUC 0.526316 0.807692
32 BGC GLC GLC GLC GLC GLC GLC 0.523077 0.785714
33 BMA BMA BMA BMA BMA 0.523077 0.785714
34 MAN BMA BMA 0.523077 0.785714
35 GLC GLC GLC GLC GLC GLC GLC GLC GLC 0.523077 0.785714
36 CEX 0.523077 0.785714
37 MAN BMA BMA BMA BMA BMA 0.523077 0.785714
38 BGC BGC BGC BGC BGC BGC 0.523077 0.785714
39 BGC GLC GLC GLC 0.523077 0.785714
40 GLA GAL GLC 0.523077 0.785714
41 CT3 0.523077 0.785714
42 GAL GAL GAL 0.523077 0.785714
43 CEY 0.523077 0.785714
44 MAN BMA BMA BMA BMA 0.523077 0.785714
45 GLC GLC GLC GLC GLC 0.523077 0.785714
46 BGC BGC BGC BGC BGC 0.523077 0.785714
47 DXI 0.523077 0.785714
48 GLC BGC GLC 0.523077 0.785714
49 BGC GLC GLC GLC GLC 0.523077 0.785714
50 BGC BGC BGC BGC 0.523077 0.785714
51 GLA GAL BGC 0.523077 0.785714
52 MT7 0.523077 0.785714
53 B4G 0.523077 0.785714
54 CE5 0.523077 0.785714
55 CE8 0.523077 0.785714
56 BMA BMA BMA 0.523077 0.785714
57 GLC GAL GAL 0.523077 0.785714
58 GLC BGC BGC BGC BGC BGC 0.523077 0.785714
59 GLC BGC BGC 0.523077 0.785714
60 CE6 0.523077 0.785714
61 GLC BGC BGC BGC BGC 0.523077 0.785714
62 CTR 0.523077 0.785714
63 BGC BGC BGC 0.523077 0.785714
64 MTT 0.523077 0.785714
65 MAN MAN BMA BMA BMA BMA 0.523077 0.785714
66 BGC BGC BGC BGC BGC BGC BGC BGC BGC 0.523077 0.785714
67 BGC BGC BGC GLC 0.523077 0.785714
68 GLC BGC BGC BGC 0.523077 0.785714
69 BGC BGC GLC 0.523077 0.785714
70 BMA BMA BMA BMA BMA BMA 0.523077 0.785714
71 CTT 0.523077 0.785714
72 GLC GLC BGC 0.523077 0.785714
73 BMA MAN BMA 0.523077 0.785714
74 MLR 0.523077 0.785714
75 BGC GLC GLC 0.523077 0.785714
76 BGC 18C GAL 0.521739 0.75
77 LAT SPH OCA 0.521739 0.75
78 BHG FUC 0.513514 0.976744
79 FUC BHG 0.513514 0.976744
80 4YA 0.513514 0.976744
81 N9S 0.507937 0.785714
82 GLA GLA 0.507937 0.785714
83 GLA GAL 0.507937 0.785714
84 CBI 0.507937 0.785714
85 GLC GAL 0.507937 0.785714
86 BGC BMA 0.507937 0.785714
87 MAL 0.507937 0.785714
88 GAL BGC 0.507937 0.785714
89 LAT 0.507937 0.785714
90 CBK 0.507937 0.785714
91 MAB 0.507937 0.785714
92 BGC GAL 0.507937 0.785714
93 LBT 0.507937 0.785714
94 BMA GAL 0.507937 0.785714
95 B2G 0.507937 0.785714
96 LSE 0.506667 0.698113
97 XNS 0.486111 0.863636
98 DR4 0.486111 0.863636
99 GAL BGC NAG GAL 0.481481 0.641509
100 AIG FUC 0.480519 0.807692
101 IGC 0.48 0.75
102 LGN 0.48 0.75
103 BMA BMA GLA BMA BMA 0.467532 0.785714
104 G2F BGC BGC BGC BGC BGC 0.459459 0.73913
105 BGC BGC BGC BGC BGC BGC BGC BGC 0.459459 0.785714
106 BQZ 0.459016 0.714286
107 FK9 0.457143 0.863636
108 BGL 0.455882 0.952381
109 GLC GLC GLC BGC 0.454545 0.785714
110 BGC BGC BGC FRU 0.453333 0.73913
111 ERA BGC GAL 0.451923 0.736842
112 MVP 0.450704 0.641509
113 G2I 0.447368 0.666667
114 OXZ BGC BGC 0.447368 0.607143
115 G3I 0.447368 0.666667
116 GLC GLC XYP 0.447368 0.785714
117 GLA MBG 0.446154 0.790698
118 DA8 0.444444 0.931818
119 GLA GAL GAL 0.444444 0.785714
120 SOR GLC GLC 0.441558 0.767442
121 GLC GLC XYS 0.435897 0.767442
122 U63 0.434783 0.717391
123 BGA 0.434783 0.763636
124 TRE 0.431034 0.785714
125 GLO GLC GLC GLC 0.43038 0.767442
126 SOR GLC GLC GLC 0.43038 0.767442
127 GLO GLC GLC 0.426829 0.75
128 2M4 0.424242 0.785714
129 MGL SGC BGC BGC 0.421687 0.73913
130 BGC BGC SGC MGL 0.421687 0.73913
131 MGL SGC GLC GLC 0.421687 0.73913
132 BGC BGC 0.42029 0.767442
133 BMA BMA 0.42029 0.767442
134 GAL NDG 0.418919 0.641509
135 NLC 0.418919 0.641509
136 NDG GAL 0.418919 0.641509
137 MAN GLC 0.41791 0.785714
138 LB2 0.41791 0.785714
139 NGR 0.41791 0.785714
140 M3M 0.41791 0.785714
141 GAL FUC 0.414286 0.785714
142 ABD 0.409091 0.653846
143 GTM BGC BGC 0.407407 0.73913
144 GAL MBG 0.405797 0.790698
145 MDM 0.405797 0.790698
146 M13 0.405797 0.790698
147 VAM 0.402778 0.73913
148 DLG FUC 0.402439 0.931818
149 DOM 0.4 0.790698
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 26 residues
No: Leader PDB Ligand Sequence Similarity
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