Receptor
PDB id Resolution Class Description Source Keywords
6LCE 1.78 Å NON-ENZYME: TRANSPORT CRYSTAL STRUCTURE OF BETA-L-ARABINOBIOSE BINDING PROTEIN - SELENOMETHIONINE DERIVATIVE BIFIDOBACTERIUM LONGUM SUBSTRATE-BINDING PROTEIN OF ABC TRANSPORTER SUGAR BINDING
Ref.: STRUCTURAL ANALYSIS OF BETA-L-ARABINOBIOSE-BINDING IN THE METABOLIC PATHWAY OF HYDROXYPROLINE-RICH GLYCOPROTEINS IN BIFIDOBACTERIUM LONGUM. FEBS J. V. 287 5114 2020
Ligand
Ligand Chain:Residue Validity Ligand Warnings Binding Data NGL Viewer Molecular Weight (Da) Formula SMILES
AHR FUB B:1;
 Valid;
 none;
 submit data
282.245 n/a O(C1C...
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90% Homology Family
Leader
PDB id Resolution Class Description Source Keywords
6LCF 1.92 Å NON-ENZYME: TRANSPORT CRYSTAL STRUCTURE OF BETA-L-ARABINOBIOSE BINDING PROTEIN - N BIFIDOBACTERIUM LONGUM SUBSTRATE-BINDING PROTEIN OF ABC TRANSPORTER SUGAR BINDING
Ref.: STRUCTURAL ANALYSIS OF BETA-L-ARABINOBIOSE-BINDING IN THE METABOLIC PATHWAY OF HYDROXYPROLINE-RICH GLYCOPROTEINS IN BIFIDOBACTERIUM LONGUM. FEBS J. V. 287 5114 2020
Members (2)
No: PDB id Binding Data Representative ligand Formula Smiles
The Class containing this family consists of a total of 232 families.
1 6LCE - AHR FUB n/a n/a
2 6LCF Kd = 0.15 uM FUB FUB n/a n/a
70% Homology Family (2)
No: PDB id Binding Data Representative ligand Formula Smiles
The Class containing this family consists of a total of 197 families.
1 6LCE - AHR FUB n/a n/a
2 6LCF Kd = 0.15 uM FUB FUB n/a n/a
50% Homology Family (2)
No: PDB id Binding Data Representative ligand Formula Smiles
The Class containing this family consists of a total of 165 families.
1 6LCE - AHR FUB n/a n/a
2 6LCF Kd = 0.15 uM FUB FUB n/a n/a
Polypharmacology
Similar Ligands (2D)
Ligand no: 1; Ligand: AHR FUB; Similar ligands found: 63
No: Ligand ECFP6 Tc MDL keys Tc
1 AHR FUB 1 1
2 GAL GLA 0.586957 0.857143
3 MBG GAL 0.530612 0.810811
4 GLC BGC BGC BGC 0.529412 0.857143
5 BGC BGC BGC 0.529412 0.857143
6 BGC BGC BGC BGC BGC BGC BGC 0.529412 0.857143
7 BGC BGC BGC BGC BGC BGC 0.529412 0.857143
8 BGC BGC BGC BGC BGC 0.529412 0.857143
9 BQZ 0.522727 0.771429
10 MAN MAN MAN GLC 0.5 0.857143
11 GAL FUC GAL 0.491228 0.833333
12 A2G GAL 0.482143 0.638298
13 MAN BMA BMA BMA BMA BMA BMA 0.480769 0.857143
14 GLC GLC GLC GLC BGC GLC GLC 0.480769 0.857143
15 BGC BGC BGC BGC BGC BGC BGC BGC BGC 0.480769 0.857143
16 AMG 0.47619 0.777778
17 MBG 0.47619 0.777778
18 MMA 0.47619 0.777778
19 GYP 0.47619 0.777778
20 MGL GAL 0.470588 0.810811
21 RZM 0.470588 0.704545
22 MBG GLA 0.469388 0.810811
23 BGC GLA GAL 0.469388 0.857143
24 BGC GAL GLA 0.464286 0.857143
25 FUC GAL 0.45283 0.805556
26 BMA MAN MAN 0.448276 0.857143
27 32O 0.444444 0.875
28 FUB 0.444444 0.875
29 AHR 0.444444 0.875
30 BDR 0.444444 0.875
31 RIB 0.444444 0.875
32 Z6J 0.444444 0.875
33 MAN GLA ABE 0.4375 0.789474
34 RR7 GLC 0.433962 0.810811
35 MAN MAN BMA 0.433333 0.810811
36 BGC BGC BGC BGC BGC BGC BGC BGC 0.433333 0.857143
37 G2F SHG BGC BGC 0.431034 0.769231
38 NAG GAL 0.431034 0.638298
39 NOJ GLC 0.428571 0.604167
40 MAN NAG GAL 0.424242 0.638298
41 MAN MAN 0.423077 0.805556
42 ABL 0.421053 0.612245
43 GCU BGC 0.421053 0.783784
44 5QP 0.418182 0.756757
45 FRU BMA 0.418182 0.864865
46 MAN IPD MAN 0.418182 0.681818
47 BGC BGC BGC BGC 0.415385 0.857143
48 GLC EDO GLC 0.410714 0.810811
49 9MR 0.410714 0.644444
50 IFM BGC 0.410714 0.617021
51 IPD MAN 0.410714 0.636364
52 MMA MAN MAN 0.409836 0.810811
53 BGC FUC GAL 0.409836 0.833333
54 GLC BGC FUC GAL 0.409836 0.833333
55 AHR AHR 0.408163 1
56 MGC GAL 0.40678 0.612245
57 MAN BMA BMA 0.40678 0.810811
58 NOY BGC 0.403509 0.612245
59 GLC DMJ 0.403509 0.604167
60 MAN MNM 0.403509 0.612245
61 MAN NAG 0.4 0.638298
62 R1P 0.4 0.714286
63 MAN MAN M6P 0.4 0.681818
Similar Ligands (3D)
Ligand no: 1; Ligand: AHR FUB; Similar ligands found: 29
No: Ligand Similarity coefficient
1 FUB FUB 0.9912
2 3L1 0.9037
3 38B 0.8976
4 XIF XYP 0.8933
5 LLT 0.8926
6 XDL XYP 0.8886
7 XYP XDN 0.8874
8 MMA XYP 0.8855
9 ID8 0.8855
10 XYP XIF 0.8850
11 LDC 0.8822
12 TLF 0.8821
13 XDN XYP 0.8821
14 XYA 0.8783
15 BNY 0.8778
16 GLC GLC 0.8724
17 5AD 0.8718
18 5F1 0.8701
19 DBS 0.8693
20 LTT 0.8668
21 5CD 0.8621
22 TIA 0.8615
23 3YQ 0.8606
24 2FA 0.8603
25 XIL 0.8593
26 NOC 0.8588
27 JVQ 0.8586
28 KCH 0.8580
29 ARJ 0.8578
Similar Binding Sites (Proteins are less than 50% similar to leader)
Pocket No.: 1; Query (leader) PDB : 6LCF; Ligand: FUB FUB; 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: 6lcf.bio2) has 19 residues
No: Leader PDB Ligand Sequence Similarity
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