Structure of PDB 7jw9 Chain B Binding Site BS01

Receptor Information
>7jw9 Chain B (length=378) Species: 205922 (Pseudomonas fluorescens Pf0-1) [Search protein sequence] [Download receptor structure] [Download structure with residue number starting from 1] [View receptor structure]
SMDVFWFLPTHGDGHYLGTTQGARPVTLNYLKQVAQAADSLGYHGVLIPT
GRSCEDSWVIASALVPLTERLRYLVAIRPGIISPTVSARMAATLDRLSNG
RLLINVVTGGDPDENRGDGSFLSHSERYEVTDEFLKIWRRVLQGEAVDFE
GKHLKVQNAKALYPPVQKPYPPLYFGGSSDAAHDLAAEQVDVYLTWGEPP
AAVAEKLADVRERAARHGRKVKFGIRLHVIVRETAEEAWKAADKLIEHIS
DETIEAAQKSFSRFDSEGQRRMAALHDGRRDNLEIAPNLWAGVGLVRGGS
GTALVGDPQQVAARIKEYADLGIESFIFSGYPHLEEAYRFAELVFPLLPE
PYASLAGRGVTNLTGPFGEMIANDVLPA
Ligand information
Ligand ID03S
InChIInChI=1S/CH4O3S/c1-5(2,3)4/h1H3,(H,2,3,4)
InChIKeyAFVFQIVMOAPDHO-UHFFFAOYSA-N
SMILES
SoftwareSMILES
ACDLabs 12.01O=S(=O)(O)C
OpenEye OEToolkits 1.7.2CS(=O)(=O)O
CACTVS 3.370C[S](O)(=O)=O
FormulaC H4 O3 S
Namemethanesulfonic acid
ChEMBLCHEMBL3039600
DrugBank
ZINC
PDB chain7jw9 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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PDB7jw9 Structures of the alkanesulfonate monooxygenase MsuD provide insight into C-S bond cleavage, substrate scope, and an unexpected role for the tetramer.
Resolution2.39 Å
Binding residue
(original residue number in PDB)
F6 R225 R296 G298
Binding residue
(residue number reindexed from 1)
F7 R226 R297 G299
Annotation score1
Enzymatic activity
Enzyme Commision number 1.14.14.5: alkanesulfonate monooxygenase.
Gene Ontology
Molecular Function
GO:0000166 nucleotide binding
GO:0004497 monooxygenase activity
GO:0008726 alkanesulfonate monooxygenase activity
GO:0016705 oxidoreductase activity, acting on paired donors, with incorporation or reduction of molecular oxygen
Biological Process
GO:0046306 alkanesulfonate catabolic process

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Molecular Function

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Biological Process
External links
PDB RCSB:7jw9, PDBe:7jw9, PDBj:7jw9
PDBsum7jw9
PubMed34029591
UniProtQ3K9A1

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