Structure of PDB 5axr Chain A Binding Site BS01

Receptor Information
>5axr Chain A (length=259) Species: 615 (Serratia marcescens) [Search protein sequence] [Download receptor structure] [Download structure with residue number starting from 1] [View receptor structure]
RDWSSPQQPFTIYGNTHYVGTGGISAVLLSSPQGHILVDGTTEKGAQVVA
ANIRAMGFKLSDVKYILSTHSHEDHAGGISAMQKLTGATVLAGAANVDTL
RTGVSPKSDPQFGSLSNFPGSAKVRAVADGELVKLGPLAVKAHATPGHTE
GGITWTWQSCEQGKCKDVVFADSLTAVSADSYRFSDHPEVVASLRGSFEA
VEKLSCDIAIAAHPEVNDMWTRQQRAAKEGNSAYVDNGACRAIAAAGRKR
LETRLASEK
Ligand information
Ligand IDZN
InChIInChI=1S/Zn/q+2
InChIKeyPTFCDOFLOPIGGS-UHFFFAOYSA-N
SMILES
SoftwareSMILES
CACTVS 3.341[Zn++]
ACDLabs 10.04
OpenEye OEToolkits 1.5.0		[Zn+2]
FormulaZn
NameZINC ION
ChEMBLCHEMBL1236970
DrugBankDB14532
ZINC
PDB chain5axr Chain A Residue 301 [Download ligand structure] [Download structure with residue number starting from 1] [View ligand structure]
Receptor-Ligand Complex Structure
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PDB5axr Crystal Structure of Metallo-beta-Lactamase SMB-1 Bound to 2-mercaptoethanesulfonate
Resolution2.1 Å
Binding residue
(original residue number in PDB)		H72 H74 H150
Binding residue
(residue number reindexed from 1)		H70 H72 H148
Annotation score1
Enzymatic activity
Catalytic site (original residue number in PDB) H72 H74 D76 H77 H150 Y184 H215
Catalytic site (residue number reindexed from 1) H70 H72 D74 H75 H148 Y182 H213
Enzyme Commision number 3.5.2.6: beta-lactamase.
Gene Ontology
Molecular Function
GO:0008800 beta-lactamase activity
GO:0046872 metal ion binding
Biological Process
GO:0030655 beta-lactam antibiotic catabolic process

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Molecular Function
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Biological Process
External links
PDB RCSB:5axr, PDBe:5axr, PDBj:5axr
PDBsum5axr
PubMed
UniProtG5ELM3

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