Structure of PDB 5hh4 Chain B Binding Site BS03

Receptor Information
>5hh4 Chain B (length=222) Species: 615 (Serratia marcescens) [Search protein sequence] [Download receptor structure] [Download structure with residue number starting from 1] [View receptor structure]
GPAESLPDLKIEKLDEGVYVHTSFEEVNGWGVVPKHGLVVLVNAEAYLID
TPFTAKDTEKLVTWFVERGYKIKGSISSHFHSDSTGGIEWLNSRSIPTYA
SELTNELLKKDGKVQATNSFSGVNYWLVKNKIEVFYPGPGHTPDNVVVWL
PERKILFGGCFIKPYGLGNLGDANIEAWPKSAKLLKSKYGKAKLVVPSHS
EVGDASLLKLTLEQAVKGLNES
Ligand information
Ligand ID60M
InChIInChI=1S/C7H8NO5P/c9-7(10)6-3-1-2-5(8-6)4-14(11,12)13/h1-3H,4H2,(H,9,10)(H2,11,12,13)
InChIKeyHIDJRVUSOKZHOS-UHFFFAOYSA-N
SMILES
SoftwareSMILES
OpenEye OEToolkits 2.0.4c1cc(nc(c1)C(=O)O)CP(=O)(O)O
CACTVS 3.385OC(=O)c1cccc(C[P](O)(O)=O)n1
FormulaC7 H8 N O5 P
Name6-(phosphonomethyl)pyridine-2-carboxylic acid
ChEMBLCHEMBL5284352
DrugBank
ZINCZINC000034963090
PDB chain5hh4 Chain B Residue 303 [Download ligand structure] [Download structure with residue number starting from 1] [View ligand structure]
Receptor-Ligand Complex Structure
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PDB5hh4 Structural and Kinetic Studies of the Potent Inhibition of Metallo-beta-lactamases by 6-Phosphonomethylpyridine-2-carboxylates.
Resolution2.0 Å
Binding residue
(original residue number in PDB)		V25 H79 D81 H139 C158 K161 N167 H197
Binding residue
(residue number reindexed from 1)		V27 H81 D83 H141 C160 K163 N169 H199
Annotation score1
Enzymatic activity
Catalytic site (original residue number in PDB) H77 H79 D81 H139 C158 K161 N167 H197
Catalytic site (residue number reindexed from 1) H79 H81 D83 H141 C160 K163 N169 H199
Enzyme Commision number 3.5.2.6: beta-lactamase.
Gene Ontology
Molecular Function
GO:0008270 zinc ion binding
GO:0008800 beta-lactamase activity
GO:0016787 hydrolase activity
GO:0046872 metal ion binding
Biological Process
GO:0017001 antibiotic catabolic process
GO:0046677 response to antibiotic
Cellular Component
GO:0042597 periplasmic space

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Molecular Function
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Biological Process
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Cellular Component
External links
PDB RCSB:5hh4, PDBe:5hh4, PDBj:5hh4
PDBsum5hh4
PubMed29485857
UniProtP52699|BLAB_SERMA Metallo-beta-lactamase type 2

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