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 1256 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 1068 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 922 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: 19
No: Ligand ECFP6 Tc MDL keys Tc
1 GLC FRU 1 1
2 SWE 1 1
3 SUC 1 1
4 FRU GLC GLA 0.736842 0.972973
5 RAF 0.736842 0.972973
6 SUP 0.701754 0.8
7 GLC FRU FRU 0.684211 0.972973
8 DQR 0.666667 0.972973
9 FNY 0.612903 0.972973
10 NYT 0.612903 0.972973
11 20S 0.534247 0.8
12 SUC GLA 0.5 0.921053
13 AGR 0.467532 0.782609
14 TRE 0.42 0.864865
15 MMA 0.411765 0.789474
16 MBG 0.411765 0.789474
17 AMG 0.411765 0.789474
18 GYP 0.411765 0.789474
19 GLC GLC FRU 0.4 0.947368
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) Sequence Similarity
Pocket No.: 2; Query (leader) PDB : 1A0T; Ligand: SUC; Similar sites found: 22
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) Sequence Similarity
1 2OZ5 7XY 0.0117 0.42507 1.68919
2 1ZB6 GST 0.02107 0.41719 2.60586
3 4L9I 8PR 0.0117 0.4136 2.66344
4 3NVD OAN 0.02143 0.40678 2.66344
5 3HVJ 705 0.03427 0.4207 2.71493
6 3VNM SDD 0.01298 0.4095 2.73038
7 1X0P FAD 0.009055 0.41344 3.4965
8 3NNT DQA 0.01517 0.40203 3.62319
9 1Y0G 8PP 0.03739 0.41095 3.66492
10 1ERB ETR 0.0272 0.40951 3.82514
11 2HGS ADP 0.004985 0.45152 3.87409
12 4QCK ASD 0.0139 0.41195 4.40415
13 2WK2 SN5 SN5 0.04313 0.40811 4.60048
14 2WK2 SN5 SN5 NGT 0.04313 0.40811 4.60048
15 3ZOA ACR 0.01297 0.40466 4.84262
16 4KCF AKM 0.01521 0.41692 5.56901
17 4Q0K GA3 0.0158 0.40454 6.17284
18 4XBT FLC 0.006129 0.42677 6.45161
19 4XBT 3ZQ 0.007567 0.42182 6.45161
20 1DGH NDP 0.01745 0.40602 6.77966
21 2AGD NAG MAN BMA 0.04701 0.40384 6.96864
22 2AGD UDH 0.04918 0.40384 6.96864
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) Sequence Similarity
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) Sequence Similarity
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) Sequence Similarity
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) Sequence Similarity
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