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 544 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 420 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 319 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
Ligand no: 1; Ligand: UMQ; Similar ligands found: 155
No: Ligand ECFP6 Tc MDL keys Tc
1 DMU 1 1
2 LMU 1 1
3 LMT 1 1
4 UMQ 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 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 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 GLC HEX 0.655172 0.928571
20 BHG 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 CQX 0.558824 0.930233
28 LAT SPH DAO 0.55814 0.777778
29 LAT SPH OLA 0.55814 0.777778
30 DEG 0.55 0.857143
31 OPM MAN MAN 0.546667 0.97619
32 L6T 0.535211 0.976744
33 AOG FUC 0.526316 0.807692
34 CEX 0.523077 0.785714
35 BGC BGC BGC BGC BGC BGC BGC BGC BGC 0.523077 0.785714
36 BMA BMA BMA BMA BMA 0.523077 0.785714
37 DXI 0.523077 0.785714
38 GLC GLC GLC GLC GLC GLC GLC GLC GLC 0.523077 0.785714
39 GLA GAL BGC 0.523077 0.785714
40 BGC BGC BGC GLC 0.523077 0.785714
41 CT3 0.523077 0.785714
42 MAN BMA BMA 0.523077 0.785714
43 GLC BGC BGC BGC 0.523077 0.785714
44 BGC BGC BGC BGC 0.523077 0.785714
45 CE8 0.523077 0.785714
46 GLC GAL GAL 0.523077 0.785714
47 MLR 0.523077 0.785714
48 CTT 0.523077 0.785714
49 BGC GLC GLC 0.523077 0.785714
50 BMA BMA BMA BMA BMA BMA 0.523077 0.785714
51 MAN BMA BMA BMA BMA 0.523077 0.785714
52 BGC BGC BGC 0.523077 0.785714
53 BGC GLC GLC GLC GLC 0.523077 0.785714
54 BGC GLC GLC GLC GLC GLC GLC 0.523077 0.785714
55 MT7 0.523077 0.785714
56 B4G 0.523077 0.785714
57 GLC BGC BGC 0.523077 0.785714
58 GLC BGC BGC BGC BGC BGC 0.523077 0.785714
59 MTT 0.523077 0.785714
60 MAN BMA BMA BMA BMA BMA 0.523077 0.785714
61 BGC GLC GLC GLC 0.523077 0.785714
62 GLC GLC GLC GLC GLC 0.523077 0.785714
63 CE6 0.523077 0.785714
64 BGC BGC GLC 0.523077 0.785714
65 MAN MAN BMA BMA BMA BMA 0.523077 0.785714
66 CEY 0.523077 0.785714
67 CE5 0.523077 0.785714
68 BMA BMA BMA 0.523077 0.785714
69 GLC BGC GLC 0.523077 0.785714
70 CTR 0.523077 0.785714
71 BMA MAN BMA 0.523077 0.785714
72 GAL GAL GAL 0.523077 0.785714
73 GLC BGC BGC BGC BGC 0.523077 0.785714
74 GLA GAL GLC 0.523077 0.785714
75 BGC 18C GAL 0.521739 0.75
76 LAT SPH OCA 0.521739 0.75
77 FUC BHG 0.513514 0.976744
78 4YA 0.513514 0.976744
79 BHG FUC 0.513514 0.976744
80 BMA GAL 0.507937 0.785714
81 CBK 0.507937 0.785714
82 BMA BMA 0.507937 0.785714
83 MAB 0.507937 0.785714
84 N9S 0.507937 0.785714
85 CBI 0.507937 0.785714
86 GLC GAL 0.507937 0.785714
87 LBT 0.507937 0.785714
88 BGC GAL 0.507937 0.785714
89 GAL BGC 0.507937 0.785714
90 B2G 0.507937 0.785714
91 MAL 0.507937 0.785714
92 LAT 0.507937 0.785714
93 BGC BMA 0.507937 0.785714
94 LSE 0.506667 0.698113
95 DR4 0.486111 0.863636
96 XNS 0.486111 0.863636
97 GAL BGC NAG GAL 0.481481 0.641509
98 AIG FUC 0.480519 0.807692
99 IGC 0.48 0.75
100 LGN 0.48 0.75
101 BMA BMA GLA BMA BMA 0.467532 0.785714
102 BMA BMA BMA GLA BMA 0.467532 0.785714
103 G2F BGC BGC BGC BGC BGC 0.459459 0.73913
104 BGC BGC BGC BGC BGC BGC BGC BGC 0.459459 0.785714
105 BQZ 0.459016 0.714286
106 FK9 0.457143 0.863636
107 BGL 0.455882 0.952381
108 GLC GLC GLC BGC 0.454545 0.785714
109 BGC BGC BGC FRU 0.453333 0.73913
110 ERA BGC GAL 0.451923 0.736842
111 MVP 0.450704 0.641509
112 G2I 0.447368 0.666667
113 G3I 0.447368 0.666667
114 OXZ BGC BGC 0.447368 0.607143
115 GLC GLC XYP 0.447368 0.785714
116 GLA MBG 0.446154 0.790698
117 GLA GAL GAL 0.444444 0.785714
118 DA8 0.444444 0.931818
119 T6D 0.443038 0.976744
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 BMA BMA MAN GLA GLA 0.434211 0.785714
125 TRE 0.431034 0.785714
126 SOR GLC GLC GLC 0.43038 0.767442
127 GLO GLC GLC GLC 0.43038 0.767442
128 GLO GLC GLC 0.426829 0.75
129 BMA MAN 0.424242 0.785714
130 2M4 0.424242 0.785714
131 BGC GLC 0.424242 0.785714
132 MGL SGC GLC GLC 0.421687 0.73913
133 BGC BGC SGC MGL 0.421687 0.73913
134 MGL SGC BGC BGC 0.421687 0.73913
135 BGC BGC 0.42029 0.767442
136 GAL NDG 0.418919 0.641509
137 NLC 0.418919 0.641509
138 LB2 0.41791 0.785714
139 GLA GLA 0.41791 0.785714
140 M3M 0.41791 0.785714
141 GLA GAL 0.41791 0.785714
142 NGR 0.41791 0.785714
143 MAN GLC 0.41791 0.785714
144 GLC BGC 0.41791 0.785714
145 GLC GLC 0.41791 0.785714
146 GAL FUC 0.414286 0.785714
147 ABD 0.409091 0.653846
148 GTM BGC BGC 0.407407 0.73913
149 M13 0.405797 0.790698
150 GAL MBG 0.405797 0.790698
151 MDM 0.405797 0.790698
152 MAN MMA 0.405797 0.790698
153 VAM 0.402778 0.73913
154 DLG FUC 0.402439 0.931818
155 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 32 residues
No: Leader PDB Ligand Sequence Similarity
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