Structure of PDB 6xfr Chain B Binding Site BS03

Receptor Information
>6xfr Chain B (length=216) Species: 400092 (Pontibacter korlensis) [Search protein sequence] [Download receptor structure] [Download structure with residue number starting from 1] [View receptor structure]
QQLEVTKISSKVWIHTSYKTYHGTVVPSHGLIVSTKEGAVLIDTGWGKEP
TEELLTWIKTNLKQPVKVCVPTHWHDDKLGGMEAVQRQGVPVVTSELTAI
LAAENSKGTPDVTFATDTTFAIGGQQLEVYFPGGGHTADNVVVYLPQQKI
LFGGCLVKDLQAKNLGNTADADLKSWPLAIQRLQQRYPKAKVVVPSHGPW
GDQSLLSHTLSLLQNQ
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 chain6xfr Chain B Residue 308 [Download ligand structure] [Download structure with residue number starting from 1] [View ligand structure]
Receptor-Ligand Complex Structure
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PDB6xfr Metallo-beta-lactamase from Pontibacter korlensis
Resolution2.608 Å
Binding residue
(original residue number in PDB)
L150 P151 Q152
Binding residue
(residue number reindexed from 1)
L145 P146 Q147
Annotation score1
Enzymatic activity
Catalytic site (original residue number in PDB) H78 H80 D82 H141 C160 K163 N172 H202
Catalytic site (residue number reindexed from 1) H73 H75 D77 H136 C155 K158 N167 H197
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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Cellular Component
External links
PDB RCSB:6xfr, PDBe:6xfr, PDBj:6xfr
PDBsum6xfr
PubMed
UniProtA0A0E3ZJD7

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