Receptor
PDB id Resolution Class Description Source Keywords
4UAC 1.6 Å NON-ENZYME: TRANSPORT EUR_01830 WITH ACARBOSE EUBACTERIUM RECTALE DSM 17629 SOLUTE-BINDING PROTEIN ACARBOSE ABC TRANSPORTER TRANSPORT
Ref.: MOLECULAR DETAILS OF A STARCH UTILIZATION PATHWAY I HUMAN GUT SYMBIONT EUBACTERIUM RECTALE. MOL.MICROBIOL. V. 95 209 2015
Ligand
Ligand Chain:Residue Validity Ligand Warnings Binding Data NGL Viewer Molecular Weight (Da) Formula SMILES
ACR A:501;
Valid;
none;
Kd = 302 nM
645.605 C25 H43 N O18 C[C@@...
PEG A:502;
Invalid;
none;
submit data
106.12 C4 H10 O3 C(COC...
EDO A:504;
A:503;
A:505;
Invalid;
Invalid;
Invalid;
none;
none;
none;
submit data
62.068 C2 H6 O2 C(CO)...
View in 3D viewer
90% Homology Family
Leader
PDB id Resolution Class Description Source Keywords
4UAC 1.6 Å NON-ENZYME: TRANSPORT EUR_01830 WITH ACARBOSE EUBACTERIUM RECTALE DSM 17629 SOLUTE-BINDING PROTEIN ACARBOSE ABC TRANSPORTER TRANSPORT
Ref.: MOLECULAR DETAILS OF A STARCH UTILIZATION PATHWAY I HUMAN GUT SYMBIONT EUBACTERIUM RECTALE. MOL.MICROBIOL. V. 95 209 2015
Members (2)
No: PDB id Binding Data Representative ligand Formula Smiles
The Class containing this family consists of a total of 209 families.
1 4UAC Kd = 302 nM ACR C25 H43 N O18 C[C@@H]1[C....
2 4UA8 Kd = 550 nM MLR C18 H32 O16 C([C@@H]1[....
70% Homology Family (2)
No: PDB id Binding Data Representative ligand Formula Smiles
The Class containing this family consists of a total of 175 families.
1 4UAC Kd = 302 nM ACR C25 H43 N O18 C[C@@H]1[C....
2 4UA8 Kd = 550 nM MLR C18 H32 O16 C([C@@H]1[....
50% Homology Family (2)
No: PDB id Binding Data Representative ligand Formula Smiles
The Class containing this family consists of a total of 149 families.
1 4UAC Kd = 302 nM ACR C25 H43 N O18 C[C@@H]1[C....
2 4UA8 Kd = 550 nM MLR C18 H32 O16 C([C@@H]1[....
Polypharmacology
Similar Ligands
Ligand no: 1; Ligand: ACR; Similar ligands found: 106
No: Ligand ECFP6 Tc MDL keys Tc
1 ACR 1 1
2 QPS 1 1
3 3SA 0.931507 1
4 7SA 0.879518 0.957447
5 IAB 0.744444 1
6 ARE 0.730337 1
7 AAO 0.730337 1
8 ACG 0.722222 0.956522
9 ABC 0.639175 0.956522
10 ABD 0.595506 0.854167
11 6SA 0.586538 1
12 QV4 0.578947 1
13 GAC 0.571429 0.87234
14 TXT 0.571429 0.87234
15 ACR GLC 0.569892 0.957447
16 ACR GLC GLC GLC GLC 0.569892 0.957447
17 HSD G6D GLC HSD G6D GLC GLC 0.534653 0.918367
18 ACI G6D GLC ACI G6D GLC GLC 0.534653 0.918367
19 ACI GLD GLC ACI GLD GLC ACI GLD GLC GLC 0.534653 0.918367
20 HSD G6D GLC HSD G6D GLC BGC 0.534653 0.918367
21 HMC AGL GLC 0.484211 0.93617
22 MAN BMA BMA 0.481013 0.733333
23 MAN BMA BMA BMA BMA 0.481013 0.733333
24 BGC GLC GLC 0.481013 0.733333
25 MAN MAN BMA BMA BMA BMA 0.481013 0.733333
26 MLR 0.481013 0.733333
27 BGC BGC BGC 0.481013 0.733333
28 BGC BGC BGC GLC 0.481013 0.733333
29 BGC BGC GLC 0.481013 0.733333
30 GLC BGC BGC BGC BGC 0.481013 0.733333
31 BMA BMA BMA BMA BMA BMA 0.481013 0.733333
32 GLA GAL BGC 0.481013 0.733333
33 CT3 0.481013 0.733333
34 GLA GAL GLC 0.481013 0.733333
35 BGC BGC BGC BGC BGC BGC BGC BGC BGC 0.481013 0.733333
36 CE6 0.481013 0.733333
37 MAN BMA BMA BMA BMA BMA 0.481013 0.733333
38 BGC BGC BGC BGC BGC BGC 0.481013 0.733333
39 CEY 0.481013 0.733333
40 B4G 0.481013 0.733333
41 BMA MAN BMA 0.481013 0.733333
42 GLC BGC BGC 0.481013 0.733333
43 MT7 0.481013 0.733333
44 BGC BGC BGC BGC BGC 0.481013 0.733333
45 GLC GLC BGC 0.481013 0.733333
46 CTT 0.481013 0.733333
47 BGC GLC GLC GLC 0.481013 0.733333
48 GLC BGC BGC BGC 0.481013 0.733333
49 CEX 0.481013 0.733333
50 GLC GLC GLC GLC GLC 0.481013 0.733333
51 GLC GLC GLC GLC GLC GLC GLC GLC GLC 0.481013 0.733333
52 BGC GLC GLC GLC GLC 0.481013 0.733333
53 CE8 0.481013 0.733333
54 GLC BGC GLC 0.481013 0.733333
55 GAL GAL GAL 0.481013 0.733333
56 BGC GLC GLC GLC GLC GLC GLC 0.481013 0.733333
57 BMA BMA BMA 0.481013 0.733333
58 BGC BGC BGC BGC 0.481013 0.733333
59 CE5 0.481013 0.733333
60 BMA BMA BMA BMA BMA 0.481013 0.733333
61 MTT 0.481013 0.733333
62 CTR 0.481013 0.733333
63 GLC BGC BGC BGC BGC BGC 0.481013 0.733333
64 DXI 0.481013 0.733333
65 GLC GAL GAL 0.481013 0.733333
66 ACR GLC GLC GLC 0.480769 0.957447
67 GLC GLC ACI G6D GLC GLC 0.480769 0.957447
68 GLC GLC DAF BGC 0.480769 0.957447
69 GLC GLC AGL HMC GLC 0.480769 0.957447
70 G6D GLC ACI GLD GLC ACI GLD GLC BGC 0.480769 0.897959
71 BGC GLC DAF GLC GLC GLC DAF 0.477477 0.882353
72 NGA GAL BGC 0.461538 0.836735
73 AGL GLC HMC AGL GLC BGC 0.457944 0.897959
74 BGC BGC BGC BGC BGC BGC BGC BGC 0.448276 0.733333
75 BMA BMA BMA BMA 0.448276 0.695652
76 GLC ACI GLD GAL 0.442308 0.957447
77 GLC ACI G6D GLC 0.442308 0.957447
78 NGA GLA GAL BGC 0.434343 0.836735
79 MAB 0.43038 0.733333
80 MAL 0.43038 0.733333
81 GLA GLA 0.43038 0.733333
82 CBK 0.43038 0.733333
83 LAT 0.43038 0.733333
84 CBI 0.43038 0.733333
85 BGC BMA 0.43038 0.733333
86 BMA GAL 0.43038 0.733333
87 N9S 0.43038 0.733333
88 LBT 0.43038 0.733333
89 BGC GAL 0.43038 0.733333
90 GLC GAL 0.43038 0.733333
91 B2G 0.43038 0.733333
92 GAL BGC 0.43038 0.733333
93 GLA GAL 0.43038 0.733333
94 BMA BMA GLA BMA BMA 0.423913 0.733333
95 FUC GAL GLC 0.422222 0.755556
96 LAT FUC 0.422222 0.755556
97 8B7 0.422222 0.755556
98 GLC GAL FUC 0.422222 0.755556
99 BGC GAL FUC 0.422222 0.755556
100 DAF GLC GLC 0.42 0.836735
101 ACI GLD GLC GAL 0.42 0.836735
102 DAF BGC GLC 0.42 0.836735
103 GAL NGA GLA BGC GAL 0.415842 0.836735
104 GLC GLC GLC BGC 0.413043 0.733333
105 GLA GAL GAL 0.402299 0.733333
106 GLC GLC G6D ACI GLC GLC GLC 0.401869 0.836735
Similar Binding Sites (Proteins are less than 50% similar to leader)
Pocket No.: 1; Query (leader) PDB : 4UAC; Ligand: ACR; 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: 4uac.bio1) has 21 residues
No: Leader PDB Ligand Sequence Similarity
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