Receptor
PDB id Resolution Class Description Source Keywords
1AF6 2.4 Å NON-ENZYME: OTHER MALTOPORIN SUCROSE COMPLEX ESCHERICHIA COLI MEMBRANE PROTEIN SPECIFIC PORIN BETA BARREL SUGAR TRANSPORT SUCROSE
Ref.: CHANNEL SPECIFICITY: STRUCTURAL BASIS FOR SUGAR DISCRIMINATION AND DIFFERENTIAL FLUX RATES IN MALTOPORIN. J.MOL.BIOL. V. 272 56 1997
Ligand
Ligand Chain:Residue Validity Ligand Warnings Binding Data NGL Viewer Molecular Weight (Da) Formula SMILES
GLC FRU A:422;
B:422;
C:422;
Valid;
Valid;
Valid;
none;
none;
none;
Kd = 15 mM
342.297 n/a O(C1(...
MG A:424;
A:425;
B:424;
C:424;
Part of Protein;
Part of Protein;
Part of Protein;
Part of Protein;
none;
none;
none;
none;
submit data
24.305 Mg [Mg+2...
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90% Homology Family
Leader
PDB id Resolution Class Description Source Keywords
1AF6 2.4 Å NON-ENZYME: OTHER MALTOPORIN SUCROSE COMPLEX ESCHERICHIA COLI MEMBRANE PROTEIN SPECIFIC PORIN BETA BARREL SUGAR TRANSPORT SUCROSE
Ref.: CHANNEL SPECIFICITY: STRUCTURAL BASIS FOR SUGAR DISCRIMINATION AND DIFFERENTIAL FLUX RATES IN MALTOPORIN. J.MOL.BIOL. V. 272 56 1997
Members (1)
No: PDB id Binding Data Representative ligand Formula Smiles
The Class containing this family consists of a total of 793 families.
1 1AF6 Kd = 15 mM GLC FRU 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 688 families.
1 1AF6 Kd = 15 mM GLC FRU n/a n/a
2 2MPR - BGC GLC GLC 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 623 families.
1 1AF6 Kd = 15 mM GLC FRU n/a n/a
2 2MPR - BGC GLC GLC n/a n/a
Polypharmacology
Similar Ligands
Ligand no: 1; Ligand: GLC FRU; Similar ligands found: 13
No: Ligand ECFP6 Tc MDL keys Tc
1 SUC 1 1
2 GLC FRU 1 1
3 SWE 1 1
4 RAF 0.736842 0.972973
5 SUP 0.701754 0.8
6 DQR 0.666667 0.972973
7 20S 0.534247 0.8
8 SUC GLA 0.5 0.921053
9 TRE 0.42 0.864865
10 MBG 0.411765 0.789474
11 MMA 0.411765 0.789474
12 AMG 0.411765 0.789474
13 GYP 0.411765 0.789474
Similar Binding Sites
Pocket no: 1; Query (leader) PDB : 1AF6; Ligand: GLC; Similar sites found: 42
This union binding pocket (no: 1) in the query (biounit: 1af6.bio1) has 10 residues
No: Leader PDB Ligand P-value (APoc) PS_Score (APoc)
1 1AF6 GLC 9.015e-14 1
2 2MPR BGC 1.107e-09 0.80052
3 1A0T SUC 4.281e-06 0.59003
4 1OH2 SUC 4.281e-06 0.59003
5 1UMP SQA 0.008817 0.4195
6 1DJN FMN 0.0212 0.4125
7 3KF3 FRU 0.006912 0.4112
8 1OJJ GLC 0.009646 0.41033
9 2WK2 SN5 0.04252 0.40925
10 2C49 ADN 0.04439 0.40835
11 4JVF 17X 0.02551 0.4038
12 1J0I GLC 0.01899 0.40002
13 1U0A BGC 0.02634 0.39634
14 1SDW IYT 0.0432 0.39618
15 3PGL RZX 0.02904 0.39566
16 2VH9 BGC 0.02028 0.39541
17 3N0Y APC 0.03265 0.39043
18 1UMD TDP 0.03056 0.38919
19 3GXO MQA 0.03099 0.38876
20 4O67 1SY 0.03516 0.38729
21 1ZHX HC3 0.03442 0.38112
22 3LIH RAF 0.03952 0.38087
23 2OVW CBI 0.03009 0.37918
24 3EMZ HXH 0.0307 0.37874
25 4MSS 2CZ 0.02254 0.37745
26 3OBK PBG 0.04401 0.37656
27 2QUN FUD 0.04255 0.37592
28 4BPZ GLC 0.04254 0.37592
29 2CET PGI 0.04856 0.3755
30 3B00 16A 0.03885 0.37375
31 1HMR ELA 0.0304 0.37116
32 1VYF OLA 0.04081 0.37113
33 3G6M CFF 0.03962 0.37084
34 1NWW HPN 0.04515 0.36871
35 1W2T SUC 0.04531 0.36826
36 4LOC OXM 0.0482 0.3682
37 2PA7 TYD 0.0303 0.36574
38 1J84 BGC 0.02773 0.36289
39 4KYS VIB 0.04194 0.36233
40 3W21 AKG 0.04881 0.36091
41 2H12 OAA 0.03243 0.36072
42 3G2C DC 0.04983 0.3598
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