Structure of PDB 5mmy Chain B Binding Site BS01

Receptor Information
>5mmy Chain B (length=245) Species: 287 (Pseudomonas aeruginosa) [Search protein sequence] [Download receptor structure] [Download structure with residue number starting from 1] [View receptor structure]
GSITENTSWNKEFSAEAVNGVFVLCKSSSKSCATNDLARASKEYLPASTF
KIPNAIIGLETGVIKNEHQVFKWDGKPRAMKQWERDLTLRGAIQVSAVPV
FQQIAREVGEVRMQKYLKKFSYGNQNISGGIDKFWLEGQLRISAVNQVEF
LESLYLNKLSASKENQLIVKEALVTEAAPEYLVHSKTGFSGVGTESNPGV
AWWVGWVEKETEVYFFAFNMDIDNESKLPLRKSIPTKIMESEGII
Ligand information
Ligand IDCO3
InChIInChI=1S/CH2O3/c2-1(3)4/h(H2,2,3,4)/p-2
InChIKeyBVKZGUZCCUSVTD-UHFFFAOYSA-L
SMILES
SoftwareSMILES
OpenEye OEToolkits 1.5.0C(=O)([O-])[O-]
ACDLabs 10.04
CACTVS 3.341		[O-]C([O-])=O
FormulaC O3
NameCARBONATE ION
ChEMBL
DrugBankDB14531
ZINC
PDB chain5mmy Chain B Residue 301 [Download ligand structure] [Download structure with residue number starting from 1] [View ligand structure]
Receptor-Ligand Complex Structure
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PDB5mmy (13)C-Carbamylation as a mechanistic probe for the inhibition of class D beta-lactamases by avibactam and halide ions.
Resolution1.88 Å
Binding residue
(original residue number in PDB)		S67 S115 R250
Binding residue
(residue number reindexed from 1)		S48 S96 R231
Annotation score1
Enzymatic activity
Catalytic site (original residue number in PDB) S67 K70 S115 F120 W154 F208
Catalytic site (residue number reindexed from 1) S48 K51 S96 F101 W135 F189
Enzyme Commision number 3.5.2.6: beta-lactamase.
Gene Ontology
Molecular Function
GO:0008658 penicillin binding
GO:0008800 beta-lactamase activity
Biological Process
GO:0017001 antibiotic catabolic process

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Molecular Function
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Biological Process
External links
PDB RCSB:5mmy, PDBe:5mmy, PDBj:5mmy
PDBsum5mmy
PubMed28678295
UniProtP14489|BLO10_PSEAI Beta-lactamase OXA-10 (Gene Name=bla)

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