PDB Entry (1pvs)

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Visualizer: MichelaNGLo

PDB ID: 1pvs Resolution: 2.4 Å Exp. Method: X-RAY DIFFRACTION
PMID: 12009927 DOI: 10.1021/bc015527v
Protein
Protein Name: DNA-3-methyladenine glycosylase 2
Protein Class: TRANSCRIPTION REGULATOR
Uniprot ID/ACC: P04395 (3MG2_ECOLI) Organism: Escherichia coli
Gene Symbol: - Gene ID: 947371
Pocket Descriptors
Volume: 1123.9 Depth: 31.5201
Hydrophobicity: 0.696658 Drug Score: 0.879135
Pocket Similarity: Calculate
Ligand
Ligand Name:   7-HYDROXY-PYRAZOLO[4,3-D]PYRIMIDINE
HET ID:   7HP PubChem:   135460353
DrugBank:   - ChEMBL:   CHEMBL1230569
Canonical SMILES:   Oc1ncnc2c1[nH]nc2
Standard InChI:   InChI=1S/C5H4N4O/c10-5-4-3(1-8-9-4)6-2-7-5/h1-2H,(H,8,9)(H,6,7,10)
Molecular Formula:   C5H4N4O Mol. Weight:   136.11147 Heavy Atoms:   10
Charge:   0 Is Chiral:   False logP:   0.0585
HBD:   2 HBA:   4 TPSA:   74.69
#Bonds:   12 #Rotatable Bonds:   0 Shape Complexity:   0.0
Stereocomplexity:   0.0 Ligand Type:   Small Molecule
Binding Affinity
-