Structure of PDB 5aeb Chain B Binding Site BS02

Receptor Information
>5aeb Chain B (length=266) Species: 506514 (uncultured bacterium BLR12) [Search protein sequence] [Download receptor structure] [Download structure with residue number starting from 1] [View receptor structure]
QKVKEPTVSNADWSKPYRPFRIAGNLYYIGTYDLACYLITTKQGNIIVNT
GLAASALQIKNNIKALGFKLTDTKILLTTQAHYDHLGAMAEIKKITGAKL
MADEGDATVMADGGSSDYAFGGHGSMFEPIIADRLLHDKDTIQLGDTKLV
MLHHPGHTKGSCSFLFDTKDEQRSYRILIANMPTIVIEKKFSEVSSYPGI
AKDYAYTLQAMKNLSFDIWVASHASQFSMHSKHKPGDGYNPKSFMDRKGY
DESLDKLQKEYEKHLN
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 chain5aeb Chain B Residue 1307 [Download ligand structure] [Download structure with residue number starting from 1] [View ligand structure]
Receptor-Ligand Complex Structure
Global viewLocal viewStructure summary

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PDB5aeb Crystal structure and kinetic analysis of the class B3 di-zinc metallo-beta-lactamase LRA-12 from an Alaskan soil metagenome.
Resolution2.1 Å
Binding residue
(original residue number in PDB)		Q116 H118 H196
Binding residue
(residue number reindexed from 1)		Q80 H82 H157
Annotation score1
Enzymatic activity
Catalytic site (original residue number in PDB) Q116 H118 D120 H121 H196 K228 H263
Catalytic site (residue number reindexed from 1) Q80 H82 D84 H85 H157 K189 H223
Enzyme Commision number 3.5.2.6: beta-lactamase.
Gene Ontology
Molecular Function
GO:0046872 metal ion binding

View graph for
Molecular Function
External links
PDB RCSB:5aeb, PDBe:5aeb, PDBj:5aeb
PDBsum5aeb
PubMed28750094
UniProtB5L5V5

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