PDB Entry (2dvx) Download |
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Visualizer: MichelaNGLo |
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PDB ID: 2dvx | Resolution: 1.7 Å | Exp. Method: X-RAY DIFFRACTION |
PMID: - | DOI: None | |
Protein |
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Protein Name: Thermophilic reversible gamma-resorcylate decarboxylase | |
Protein Class: LYASE | |
Uniprot ID/ACC: Q60GU1 (Q60GU1_9RHIZ) | Organism: Rhizobium |
Gene Symbol: - | Gene ID: - |
Pocket Descriptors | |
Volume: 326.656 | Depth: 24.4162 |
Hydrophobicity: 0.671642 | Drug Score: 0.0238596 |
Pocket Similarity: Calculate |
Ligand |
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Ligand Name: 2,3-DIHYDROXYBENZALDEHYDE | ||
HET ID: 23A | PubChem: 90579 | |
DrugBank: - | ChEMBL: CHEMBL491995 | |
Canonical SMILES: O=Cc1cccc(c1O)O | ||
Standard InChI: InChI=1S/C7H6O3/c8-4-5-2-1-3-6(9)7(5)10/h1-4,9-10H | ||
Molecular Formula: C7H6O3 | Mol. Weight: 138.12074 | Heavy Atoms: 10 |
Charge: 0 | Is Chiral: False | logP: 0.9103 |
HBD: 2 | HBA: 3 | TPSA: 57.53 |
#Bonds: 10 | #Rotatable Bonds: 1 | Shape Complexity: 0.0 |
Stereocomplexity: 0.0 | Ligand Type: Small Molecule |
Binding Affinity |
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