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 ID
03S
InChI
InChI=1S/CH4O3S/c1-5(2,3)4/h1H3,(H,2,3,4)
InChIKey
AFVFQIVMOAPDHO-UHFFFAOYSA-N
SMILES
Software
SMILES
ACDLabs 12.01
O=S(=O)(O)C
OpenEye OEToolkits 1.7.2
CS(=O)(=O)O
CACTVS 3.370
C[S](O)(=O)=O
Formula
C H4 O3 S
Name
methanesulfonic acid
ChEMBL
CHEMBL3039600
DrugBank
ZINC
PDB chain
7jw9 Chain B Residue 401 [
Download ligand structure
] [
Download structure with residue number starting from 1
] [
View ligand structure
]
Receptor-Ligand Complex Structure
Global view
Local view
Structure summary
[
Spin on
] [
Spin off
] [
Reset
]
[
High quality
] [
Low quality
]
[
White background
] [
Black background
]
[
Spin on
] [
Spin off
] [
Reset
]
[
High quality
] [
Low quality
]
[
White background
] [
Black background
]
PDB
7jw9
Structures of the alkanesulfonate monooxygenase MsuD provide insight into C-S bond cleavage, substrate scope, and an unexpected role for the tetramer.
Resolution
2.39 Å
Binding residue
(original residue number in PDB)
F6 R225 R296 G298
Binding residue
(residue number reindexed from 1)
F7 R226 R297 G299
Annotation score
1
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
View graph for
Molecular Function
View graph for
Biological Process
External links
PDB
RCSB:7jw9
,
PDBe:7jw9
,
PDBj:7jw9
PDBsum
7jw9
PubMed
34029591
UniProt
Q3K9A1
[
Back to BioLiP
]