Structure of PDB 4h9t Chain B Binding Site BS01

Receptor Information
>4h9t Chain B (length=319) Species: 235909 (Geobacillus kaustophilus HTA426) [Search protein sequence] [Download receptor structure] [Download structure with residue number starting from 1] [View receptor structure]
EMVETVCGPVPVEQLGKTLIHEHFLFGYPGFQGDVTRGTFREDESLRVAV
EAAEKMKRHGIQTVVDPTPNDCGRNPAFLRRVAEETGLNIICATGYYYAP
PYFQFRRLLGTAEDDIYDMFMAELTEGIADTGIKAGVIKLASSKGRITEY
EKMFFRAAARAQKETGAVIITHTQEGTMGPEQAAYLLEHGADPKKIVIGH
MCGNTDPDYHRKTLAYGVYIAFDRFGIQGMVGAPTDEERVRTLLALLRDG
YEKQIMLSHNTVNVWLGRPFTLPEPFAEMMKNWHVEHLFVNIIPALKNEG
IRDEVLEQMFIGNPAALFS
Ligand information
Ligand IDFE
InChIInChI=1S/Fe/q+3
InChIKeyVTLYFUHAOXGGBS-UHFFFAOYSA-N
SMILES
SoftwareSMILES
ACDLabs 10.04
CACTVS 3.341
OpenEye OEToolkits 1.5.0
[Fe+3]
FormulaFe
NameFE (III) ION
ChEMBL
DrugBankDB13949
ZINC
PDB chain4h9t Chain B Residue 401 [Download ligand structure] [Download structure with residue number starting from 1] [View ligand structure]
Receptor-Ligand Complex Structure
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PDB4h9t Structural evidence of a productive active site architecture for an evolved quorum-quenching GKL lactonase.
Resolution2.097 Å
Binding residue
(original residue number in PDB)
H23 H25 K145 N266
Binding residue
(residue number reindexed from 1)
H21 H23 K139 N260
Annotation score4
Enzymatic activity
Catalytic site (original residue number in PDB) H23 H25 K145 H178 H206 G209 R230 N266
Catalytic site (residue number reindexed from 1) H21 H23 K139 H172 H200 G203 R224 N260
Enzyme Commision number 3.5.-.-
Gene Ontology
Molecular Function
GO:0008270 zinc ion binding
GO:0016787 hydrolase activity
GO:0046872 metal ion binding
Biological Process
GO:0009056 catabolic process

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Molecular Function

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Biological Process
External links
PDB RCSB:4h9t, PDBe:4h9t, PDBj:4h9t
PDBsum4h9t
PubMed23461395
UniProtQ5KZU5

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