Receptor
PDB id Resolution Class Description Source Keywords
1A0T 2.4 Å NON-ENZYME: OTHER SUCROSE-SPECIFIC PORIN, WITH BOUND SUCROSE MOLECULES SALMONELLA TYPHIMURIUM OUTER MEMBRANE PROTEIN PORIN
Ref.: STRUCTURE OF THE SUCROSE-SPECIFIC PORIN SCRY FROM SALMONELLA TYPHIMURIUM AND ITS COMPLEX WITH SUCROSE. NAT.STRUCT.BIOL. V. 5 37 1998
Ligand
Ligand Chain:Residue Validity Ligand Warnings Binding Data NGL Viewer Molecular Weight (Da) Formula SMILES
CA P:10;
Q:10;
R:10;
Part of Protein;
Part of Protein;
Part of Protein;
none;
none;
none;
submit data
40.078 Ca [Ca+2...
SUC P:1;
P:2;
Q:1;
Q:2;
R:1;
R:2;
Valid;
Valid;
Valid;
Valid;
Valid;
Valid;
none;
none;
none;
none;
none;
none;
Kd = 50 mM
342.296 C12 H22 O11 C([C@...
View in 3D viewer
90% Homology Family
Leader
PDB id Resolution Class Description Source Keywords
1A0T 2.4 Å NON-ENZYME: OTHER SUCROSE-SPECIFIC PORIN, WITH BOUND SUCROSE MOLECULES SALMONELLA TYPHIMURIUM OUTER MEMBRANE PROTEIN PORIN
Ref.: STRUCTURE OF THE SUCROSE-SPECIFIC PORIN SCRY FROM SALMONELLA TYPHIMURIUM AND ITS COMPLEX WITH SUCROSE. NAT.STRUCT.BIOL. V. 5 37 1998
Members (1)
No: PDB id Binding Data Representative ligand Formula Smiles
The Class containing this family consists of a total of 793 families.
1 1A0T Kd = 50 mM SUC C12 H22 O11 C([C@@H]1[....
70% Homology Family (1)
No: PDB id Binding Data Representative ligand Formula Smiles
The Class containing this family consists of a total of 688 families.
1 1A0T Kd = 50 mM SUC C12 H22 O11 C([C@@H]1[....
50% Homology Family (1)
No: PDB id Binding Data Representative ligand Formula Smiles
The Class containing this family consists of a total of 623 families.
1 1A0T Kd = 50 mM SUC C12 H22 O11 C([C@@H]1[....
Polypharmacology
Similar Ligands
Ligand no: 1; Ligand: SUC; 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 : 1A0T; Ligand: SUC; Similar sites found: 30
This union binding pocket (no: 1) in the query (biounit: 1a0t.bio1) has 15 residues
No: Leader PDB Ligand P-value (APoc) PS_Score (APoc)
1 1A0T SUC 2.665e-15 1
2 1OH2 SUC 2.665e-15 1
3 2MPR BGC 1.731e-09 0.68205
4 1AF6 GLC 4.281e-06 0.47917
5 3LQ8 88Z 0.03731 0.41338
6 1H4H XYP 0.009049 0.41231
7 3N0Y APC 0.02824 0.39708
8 3FW4 CAQ 0.03344 0.3949
9 1MH5 HAL 0.0318 0.39447
10 3ACL 3F1 0.02379 0.38966
11 4K3H 1OM 0.02748 0.3887
12 3WDX BGC 0.04467 0.38695
13 2PVF ACP 0.03231 0.38524
14 2QM9 TDZ 0.04009 0.38436
15 1ZM1 BGC 0.03367 0.38435
16 4B9Z ACR 0.04142 0.37786
17 3BXO UPP 0.04773 0.37684
18 1OJJ GLC 0.02979 0.37585
19 2IU8 UD1 0.04622 0.37551
20 3GFZ FMN 0.04856 0.37446
21 3HBN UDP 0.04948 0.37192
22 1F3D TPM 0.03897 0.36696
23 3SK2 GRI 0.002115 0.36396
24 4IEU 2CO 0.04729 0.3614
25 3K60 ADP 0.04682 0.34543
26 1N4K I3P 0.02247 0.34196
27 4QPW XYP 0.008445 0.34114
28 2IOR ADP 0.031 0.33763
29 4EE7 PIS 0.02414 0.33088
30 1JL0 PUT 0.03697 0.32485
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