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 S 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...
GLC FRU E:1;
F:1;
A:1;
B:1;
C:1;
D:1;
Valid;
Valid;
Valid;
Valid;
Valid;
Valid;
none;
none;
none;
none;
none;
none;
Kd = 50 mM
342.297 n/a O(C1C...
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 S 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 1579 families.
1 1A0T Kd = 50 mM GLC FRU n/a n/a
70% Homology Family (1)
No: PDB id Binding Data Representative ligand Formula Smiles
The Class containing this family consists of a total of 1312 families.
1 1A0T Kd = 50 mM GLC FRU n/a n/a
50% Homology Family (1)
No: PDB id Binding Data Representative ligand Formula Smiles
The Class containing this family consists of a total of 1130 families.
1 1A0T Kd = 50 mM GLC FRU n/a n/a
Polypharmacology
Similar Ligands
Ligand no: 1; Ligand: GLC FRU; Similar ligands found: 49
No: Ligand ECFP6 Tc MDL keys Tc
1 TUR 1 1
2 BTU 1 1
3 GLC FRU 1 1
4 GLC BDF 0.583333 0.871795
5 W9T 0.551724 1
6 BMA FRU 0.551724 1
7 FRU GAL 0.551724 1
8 TRE 0.520833 0.842105
9 BGC BGC BGC FRU 0.477612 0.973684
10 BQZ 0.462963 0.763158
11 GLC Z9N 0.4375 1
12 RZM 0.42623 0.777778
13 BGC GLC 0.423729 0.842105
14 GLA MBG 0.423729 0.8
15 BMA MAN 0.423729 0.842105
16 LAT GLA 0.423729 0.842105
17 2M4 0.423729 0.842105
18 B2G 0.416667 0.842105
19 MAB 0.416667 0.842105
20 LAT 0.416667 0.842105
21 MAN GLC 0.416667 0.842105
22 M3M 0.416667 0.842105
23 MAL 0.416667 0.842105
24 GLC BGC 0.416667 0.842105
25 BGC BMA 0.416667 0.842105
26 BMA GAL 0.416667 0.842105
27 LB2 0.416667 0.842105
28 BMA BMA 0.416667 0.842105
29 GLC GAL 0.416667 0.842105
30 BGC GAL 0.416667 0.842105
31 GAL BGC 0.416667 0.842105
32 CBI 0.416667 0.842105
33 LBT 0.416667 0.842105
34 CBK 0.416667 0.842105
35 N9S 0.416667 0.842105
36 NGR 0.416667 0.842105
37 GLC GLC 0.416667 0.842105
38 GLA GLA 0.416667 0.842105
39 GLA GAL 0.416667 0.842105
40 MAN IFM 0.415385 0.666667
41 GLC IFM 0.415385 0.666667
42 5QP 0.40625 0.794872
43 GAL MBG 0.403226 0.8
44 MAN MMA 0.403226 0.8
45 DR5 0.403226 0.8
46 MDM 0.403226 0.8
47 M13 0.403226 0.8
48 MMA MAN 0.403226 0.8
49 T6P 0.403226 0.702128
Similar Binding Sites (Proteins are less than 50% similar to leader)
Pocket No.: 1; Query (leader) PDB : 1A0T; Ligand: SUC; 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: 1a0t.bio1) has 7 residues
No: Leader PDB Ligand Sequence Similarity
Pocket No.: 2; Query (leader) PDB : 1A0T; Ligand: SUC; Similar sites found with APoc: No similar binding sites found, or similarity not calculated due to duplicate pocket.
This union binding pocket(no: 2) in the query (biounit: 1a0t.bio1) has 11 residues
No: Leader PDB Ligand Sequence Similarity
Pocket No.: 3; Query (leader) PDB : 1A0T; Ligand: SUC; Similar sites found with APoc: No similar binding sites found, or similarity not calculated due to duplicate pocket.
This union binding pocket(no: 3) in the query (biounit: 1a0t.bio1) has 6 residues
No: Leader PDB Ligand Sequence Similarity
Pocket No.: 4; Query (leader) PDB : 1A0T; Ligand: SUC; Similar sites found with APoc: No similar binding sites found, or similarity not calculated due to duplicate pocket.
This union binding pocket(no: 4) in the query (biounit: 1a0t.bio1) has 7 residues
No: Leader PDB Ligand Sequence Similarity
Pocket No.: 5; Query (leader) PDB : 1A0T; Ligand: SUC; Similar sites found with APoc: No similar binding sites found, or similarity not calculated due to duplicate pocket.
This union binding pocket(no: 5) in the query (biounit: 1a0t.bio1) has 11 residues
No: Leader PDB Ligand Sequence Similarity
Pocket No.: 6; Query (leader) PDB : 1A0T; Ligand: SUC; Similar sites found with APoc: No similar binding sites found, or similarity not calculated due to duplicate pocket.
This union binding pocket(no: 6) in the query (biounit: 1a0t.bio1) has 11 residues
No: Leader PDB Ligand Sequence Similarity
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