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(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 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(C1C(C(C(....
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(C1C(C(C(....
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(C1C(C(C(....
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 (Proteins are less than 50% similar to leader)
Pocket No.: 1; Query (leader) PDB : 1A0T; Ligand: SUC; Similar sites found: 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 P-value (APoc) PS_Score (APoc)
Pocket No.: 2; Query (leader) PDB : 1A0T; Ligand: SUC; Similar sites found: 25
This union binding pocket(no: 2) in the query (biounit: 1a0t.bio1) has 11 residues
No: Leader PDB Ligand P-value (APoc) PS_Score (APoc)
1 2HGS ADP 0.004985 0.45152
2 2OZ5 7XY 0.0117 0.42507
3 3HVJ 705 0.03427 0.4207
4 1NWW HPN 0.008032 0.41804
5 1ZB6 GST 0.02107 0.41719
6 4KCF AKM 0.01521 0.41692
7 4KCF AKM 0.01521 0.41692
8 4KCF AKM 0.01521 0.41692
9 4KCF AKM 0.01521 0.41692
10 1X0P FAD 0.009055 0.41344
11 4QCK ASD 0.0139 0.41195
12 2AGD NAG MAN BMA 0.03864 0.4114
13 2AGD UDH 0.03864 0.4114
14 1Y0G 8PP 0.03739 0.41095
15 1ERB ETR 0.0272 0.40951
16 3VNM SDD 0.01298 0.4095
17 2WK2 SN5 SN5 0.04313 0.40811
18 2WK2 SN5 SN5 NGT 0.04313 0.40811
19 1DGH NDP 0.01745 0.40602
20 3ZOA ACR 0.01297 0.40466
21 4Q0K GA3 0.0158 0.40454
22 2AGD UDH 0.04621 0.40448
23 2AGD UDH 0.04701 0.40384
24 4BBF O19 0.02489 0.40219
25 3NNT DQA 0.01517 0.40203
Pocket No.: 3; Query (leader) PDB : 1A0T; Ligand: SUC; Similar sites found: 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 P-value (APoc) PS_Score (APoc)
Pocket No.: 4; Query (leader) PDB : 1A0T; Ligand: SUC; Similar sites found: 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 P-value (APoc) PS_Score (APoc)
Pocket No.: 5; Query (leader) PDB : 1A0T; Ligand: SUC; Similar sites found: 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 P-value (APoc) PS_Score (APoc)
Pocket No.: 6; Query (leader) PDB : 1A0T; Ligand: SUC; Similar sites found: 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 P-value (APoc) PS_Score (APoc)
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