Structure of PDB 6uxu Chain B Binding Site BS01

Receptor Information
>6uxu Chain B (length=300) Species: 589024 (Ochrobactrum sp. CTN-11) [Search protein sequence] [Download receptor structure] [Download structure with residue number starting from 1] [View receptor structure]
LILDFNKVQMRSQQLAPGVYAHLPADSAELNAKGGVAGTSGGLIVGTRGA
MLIETMLNRRLFDQVQALAKKEALGLPLLYAVNTSYHGDHSYGNMYLKAP
TRVIQSTKTRDYVDGHLADDKAFMVKNFGAGRGVEQITARTGDILVPPGG
RVSVDLGGKTVEIIDFGFAQTGGDLFVWEPQSKVMWTGNAVVASKPALPW
LLDGKLVETLATLQKVYDFLPPDATIVPGHGVPMAREGLRWHLDYLAAVQ
AGVKDALARKLSLEQTVTELKMPEFRGYVLFDFVHPDLNVPAAYENLYFQ
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 chain6uxu Chain A Residue 402 [Download ligand structure] [Download structure with residue number starting from 1] [View ligand structure]
Receptor-Ligand Complex Structure
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PDB6uxu Structural basis for the hydrolytic dehalogenation of the fungicide chlorothalonil.
Resolution1.962 Å
Binding residue
(original residue number in PDB)		H143 D146
Binding residue
(residue number reindexed from 1)		H116 D119
Annotation score1
Enzymatic activity
Enzyme Commision number 3.5.2.6: beta-lactamase.
Gene Ontology
Molecular Function
GO:0016787 hydrolase activity
GO:0046872 metal ion binding
Biological Process
GO:0017001 antibiotic catabolic process

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Molecular Function
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Biological Process
External links
PDB RCSB:6uxu, PDBe:6uxu, PDBj:6uxu
PDBsum6uxu
PubMed32358058
UniProtE2JB04

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