PDB Entry (2dvu) Download |
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Visualizer: MichelaNGLo |
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PDB ID: 2dvu | Resolution: 1.9 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: 765.12 | Depth: 48.1064 |
Hydrophobicity: 0.686747 | Drug Score: 0.613532 |
Pocket Similarity: Calculate |
Ligand |
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Ligand Name: 2,6-DIHYDROXYBENZOIC ACID | ||
HET ID: GRE | PubChem: 9338 | |
DrugBank: - | ChEMBL: CHEMBL454808 | |
Canonical SMILES: OC(=O)c1c(O)cccc1O | ||
Standard InChI: InChI=1S/C7H6O4/c8-4-2-1-3-5(9)6(4)7(10)11/h1-3,8-9H,(H,10,11) | ||
Molecular Formula: C7H6O4 | Mol. Weight: 154.12013 | Heavy Atoms: 11 |
Charge: 0 | Is Chiral: False | logP: 0.796 |
HBD: 3 | HBA: 4 | TPSA: 77.76 |
#Bonds: 11 | #Rotatable Bonds: 1 | Shape Complexity: 0.0 |
Stereocomplexity: 0.0 | Ligand Type: Small Molecule |
Binding Affinity |
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