PDB Entry (2dvx)

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PDB ID: 2dvx Resolution: 1.7 Å Exp. Method: X-RAY DIFFRACTION
PMID: - DOI: None
Protein
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
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
-