PDB Entry (4hsr) |
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PDB ID: 4hsr | Resolution: 2.13 Å | Exp. Method: X-RAY DIFFRACTION |
PMID: 23373797 | DOI: 10.1042/BJ20121715 | |
Protein |
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Protein Name: glutaryl-7-aminocephalosporanic acid acylase beta chain | |
Uniprot ID/ACC: - | Organism: Pseudomonas |
Gene Symbol: - | Gene ID: - |
Protein Class: HYDROLASE |
Ligand |
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Ligand Name: Glutamatic acid | ||
Canonical SMILES: N[C@@H](CCC(O)=O)C(O)=O | ||
Standard InChI: InChI=1S/C5H9NO4/c6-3(5(9)10)1-2-4(7)8/h3H,1-2,6H2,(H,7,8)(H,9,10)/t3-/m0/s1 | ||
HET Code: GLJ | PubChem: 33032 | |
DrugBank: DB02517 | ChEMBL: CHEMBL575060 | |
Molecular Formula: C5H9NO4 | Mol. Weight: 147.05316 | logP: -0.7369 |
HBD: 3 | HBA: 3 | |
#Rotatable Bonds: 4 | TPSA: 100.62 |
Covalent Mechanism |
Reaction Name | Residue | Chain ID | SASA | pKa | Warhead Name | Warhead Structure |
Nucleophilic Acyl Substitution | SER 1 | B | 16.01 | - | Carboxylic Acid |
Binding Affinity |
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