Receptor
PDB id Resolution Class Description Source Keywords
4ZOW 2.45 Å NON-ENZYME: TRANSPORT CRYSTAL STRUCTURE OF E. COLI MULTIDRUG TRANSPORTER MDFA IN C WITH CHLORAMPHENICOL ESCHERICHIA COLI (STRAIN K12) MFS FAMILY MULTI-DRUG ANTIPORTER MDFA CM TRANSPORT PROTE
Ref.: SUBSTRATE-BOUND STRUCTURE OF THE E. COLI MULTIDRUG RESISTANCE TRANSPORTER MDFA CELL RES. V. 25 1060 2015
Ligand
Ligand Chain:Residue Validity Ligand Warnings Binding Data NGL Viewer Molecular Weight (Da) Formula SMILES
CLM A:500;
Valid;
none;
Kd = 75 uM
323.129 C11 H12 Cl2 N2 O5 c1cc(...
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90% Homology Family
Leader
PDB id Resolution Class Description Source Keywords
4ZOW 2.45 Å NON-ENZYME: TRANSPORT CRYSTAL STRUCTURE OF E. COLI MULTIDRUG TRANSPORTER MDFA IN C WITH CHLORAMPHENICOL ESCHERICHIA COLI (STRAIN K12) MFS FAMILY MULTI-DRUG ANTIPORTER MDFA CM TRANSPORT PROTE
Ref.: SUBSTRATE-BOUND STRUCTURE OF THE E. COLI MULTIDRUG RESISTANCE TRANSPORTER MDFA CELL RES. V. 25 1060 2015
Members (2)
No: PDB id Binding Data Representative ligand Formula Smiles
The Class containing this family consists of a total of 199 families.
1 4ZOW Kd = 75 uM CLM C11 H12 Cl2 N2 O5 c1cc(ccc1[....
2 4ZP0 - DXC C24 H40 O4 C[C@H](CCC....
70% Homology Family (2)
No: PDB id Binding Data Representative ligand Formula Smiles
The Class containing this family consists of a total of 166 families.
1 4ZOW Kd = 75 uM CLM C11 H12 Cl2 N2 O5 c1cc(ccc1[....
2 4ZP0 - DXC C24 H40 O4 C[C@H](CCC....
50% Homology Family (2)
No: PDB id Binding Data Representative ligand Formula Smiles
The Class containing this family consists of a total of 141 families.
1 4ZOW Kd = 75 uM CLM C11 H12 Cl2 N2 O5 c1cc(ccc1[....
2 4ZP0 - DXC C24 H40 O4 C[C@H](CCC....
Polypharmacology
Similar Ligands
Ligand no: 1; Ligand: CLM; Similar ligands found: 3
No: Ligand ECFP6 Tc MDL keys Tc
1 CLM 1 1
2 BRX 0.769231 0.962264
3 CL8 0.58209 0.862069
Similar Binding Sites (Proteins are less than 50% similar to leader)
Pocket No.: 1; Query (leader) PDB : 4ZOW; Ligand: CLM; Similar sites found: 15
This union binding pocket(no: 1) in the query (biounit: 4zow.bio1) has 22 residues
No: Leader PDB Ligand P-value (APoc) PS_Score (APoc) Sequence Similarity
1 4RJD TFP 0.02598 0.40224 None
2 5ESO ISC 0.01654 0.40046 1.79028
3 5ESO TDP 0.01654 0.40046 1.79028
4 3KYQ DPV 0.01114 0.42032 2.01005
5 5M67 ADE 0.02711 0.40306 2.04604
6 5M67 NAD 0.02836 0.40212 2.04604
7 5IKH 6BW 0.006037 0.41786 2.8133
8 2C42 TPP 0.008166 0.40951 3.06905
9 2C42 PYR 0.008166 0.40951 3.06905
10 3KFC 61X 0.01483 0.40036 3.16206
11 5UC9 MYR 0.02594 0.40332 4.86726
12 1M5W DXP 0.02145 0.40568 4.93827
13 5V4R MGT 0.02843 0.40038 5.55556
14 1QX4 FAD 0.01568 0.40152 8.0292
15 2WPB ZZI 0.01146 0.41968 31.9079
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