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 (Proteins are less than 50% similar to leader)
Pocket No.: 1; Query (leader) PDB : 1AF6; Ligand: GLC FRU; Similar sites found: 10
This union binding pocket(no: 1) in the query (biounit: 1af6.bio1) has 13 residues
No: Leader PDB Ligand P-value (APoc) PS_Score (APoc)
1 3NVD OAN 0.005548 0.43888
2 4P7X AKG 0.00958 0.42202
3 4P7X YCP 0.00958 0.42202
4 3V91 UPG 0.01716 0.41658
5 3V91 UPG 0.01716 0.41658
6 3U2U UDP 0.02921 0.4151
7 1NYW DAU 0.0181 0.40894
8 3IWK NAD 0.02654 0.40467
9 1UR4 B2G 0.02832 0.40327
10 1UR4 B2G 0.02871 0.40296
Pocket No.: 2; Query (leader) PDB : 1AF6; Ligand: GLC FRU; Similar sites found: 10
This union binding pocket(no: 2) in the query (biounit: 1af6.bio1) has 13 residues
No: Leader PDB Ligand P-value (APoc) PS_Score (APoc)
1 3NVD OAN 0.006185 0.43633
2 4P7X AKG 0.009179 0.42301
3 4P7X YCP 0.009179 0.42301
4 3V91 UPG 0.01603 0.41814
5 3V91 UPG 0.01603 0.41814
6 3U2U UDP 0.02845 0.41571
7 1NYW DAU 0.01848 0.40843
8 1UR4 B2G 0.02463 0.40673
9 1UR4 B2G 0.02487 0.4065
10 3IWK NAD 0.02517 0.40594
Pocket No.: 3; Query (leader) PDB : 1AF6; Ligand: GLC FRU; Similar sites found: 9
This union binding pocket(no: 3) in the query (biounit: 1af6.bio1) has 13 residues
No: Leader PDB Ligand P-value (APoc) PS_Score (APoc)
1 3NVD OAN 0.005983 0.4371
2 4P7X YCP 0.009597 0.42199
3 4P7X AKG 0.009597 0.42199
4 3U2U UDP 0.0287 0.4155
5 1NYW DAU 0.01692 0.41049
6 1UR4 B2G 0.02659 0.40477
7 1UR4 B2G 0.02688 0.40467
8 3IWK NAD 0.02861 0.40287
9 1JV1 UD1 0.04488 0.40177
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