PDB Entry (1q0n) Download |
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Visualizer: MichelaNGLo |
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PDB ID: 1q0n | Resolution: 1.25 Å | Exp. Method: X-RAY DIFFRACTION |
PMID: 11080626 | DOI: None | |
Protein |
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Protein Name: 2-amino-4-hydroxy-6-hydroxymethyldihydropteridine pyrophosphokinase | |
Protein Class: TRANSFERASE | |
Uniprot ID/ACC: P26281 (HPPK_ECOLI) | Organism: Escherichia coli |
Gene Symbol: - | Gene ID: 948792 |
Pocket Descriptors | |
Volume: 890.24 | Depth: 17.8751 |
Hydrophobicity: 0.664706 | Drug Score: 0.770723 |
Pocket Similarity: Calculate |
Ligand |
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Ligand Name: 2-AMINO-6-HYDROXYMETHYL-7,8-DIHYDRO-3H-PTERIDIN-4-ONE | ||
HET ID: PH2 | PubChem: 135398568 | |
DrugBank: DB02119 | ChEMBL: CHEMBL1233322 | |
Canonical SMILES: Nc1nc2NCC(=Nc2c(=O)[nH]1)CO | ||
Standard InChI: InChI=1S/C7H9N5O2/c8-7-11-5-4(6(14)12-7)10-3(2-13)1-9-5/h13H,1-2H2,(H4,8,9,11,12,14) | ||
Molecular Formula: C7H9N5O2 | Mol. Weight: 195.17867 | Heavy Atoms: 14 |
Charge: 0 | Is Chiral: False | logP: -1.0028 |
HBD: 4 | HBA: 6 | TPSA: 116.39 |
#Bonds: 16 | #Rotatable Bonds: 1 | Shape Complexity: 0.2857143 |
Stereocomplexity: 0.0 | Ligand Type: Small Molecule |
Binding Affinity |
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