Receptor
PDB id Resolution Class Description Source Keywords
1T9F 2 Å NON-ENZYME: OTHER STRUCTURAL GENOMICS OF CAENORHABDITIS ELEGANS: STRUCTURE OF A PROTEIN WITH UNKNOWN FUNCTION CAENORHABDITIS ELEGANS STRUCTURAL GENOMICS PSI PROTEIN STRUCTURE INITIATIVE SOUTHEAST COLLABORATORY FOR STRUCTURAL GENOMICS SECSG UNKNOWN FUNCTION
Ref.: STRUCTURAL GENOMICS OF CAENORHABDITIS ELEGANS: STRUCTURE OF A PROTEIN WITH UNKNOWN FUNCTION. TO BE PUBLISHED
Ligand
Ligand Chain:Residue Validity Ligand Warnings Binding Data NGL Viewer Molecular Weight (Da) Formula SMILES
MLI A:207;
Valid;
none;
submit data
102.046 C3 H2 O4 C(C(=...
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90% Homology Family
Leader
PDB id Resolution Class Description Source Keywords
1T9F 2 Å NON-ENZYME: OTHER STRUCTURAL GENOMICS OF CAENORHABDITIS ELEGANS: STRUCTURE OF A PROTEIN WITH UNKNOWN FUNCTION CAENORHABDITIS ELEGANS STRUCTURAL GENOMICS PSI PROTEIN STRUCTURE INITIATIVE SOUTHEAST COLLABORATORY FOR STRUCTURAL GENOMICS SECSG UNKNOWN FUNCTION
Ref.: STRUCTURAL GENOMICS OF CAENORHABDITIS ELEGANS: STRUCTURE OF A PROTEIN WITH UNKNOWN FUNCTION. TO BE PUBLISHED
Members (1)
No: PDB id Binding Data Representative ligand Formula Smiles
The Class containing this family consists of a total of 1256 families.
1 1T9F - MLI C3 H2 O4 C(C(=O)[O-....
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 1T9F - MLI C3 H2 O4 C(C(=O)[O-....
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 1T9F - MLI C3 H2 O4 C(C(=O)[O-....
Polypharmacology
Similar Ligands
Ligand no: 1; Ligand: MLI; Similar ligands found: 4
No: Ligand ECFP6 Tc MDL keys Tc
1 MLI 1 1
2 OAA 0.5 0.666667
3 SIN 0.5 0.785714
4 OXL 0.416667 0.642857
Similar Binding Sites (Proteins are less than 50% similar to leader)
Pocket No.: 1; Query (leader) PDB : 1T9F; Ligand: MLI; 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: 1t9f.bio1) has 4 residues
No: Leader PDB Ligand P-value (APoc) PS_Score (APoc) Sequence Similarity
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