Structure of PDB 4ysb Chain A Binding Site BS01

Receptor Information
>4ysb Chain A (length=225) Species: 246197 (Myxococcus xanthus DK 1622) [Search protein sequence] [Download receptor structure] [Download structure with residue number starting from 1] [View receptor structure]
MIFRQLFDSESSTYTYLIGDEATRQAVLIDPVLEQVDRDLQMVAELDLTL
THVFDTHVHADHITASGALRERTQATVVGSVNGASCANVQVRHGDEVRVG
QLVFQVLATPGHTDDSISYLLGDRVFTGDALLVRGNGRTDFQNGNASQLY
DSLTRVLFTLPDETLVYPGHDYKGRTVTSIAEEKRHNPRVAGKSREEFIH
IMENLNLPRPKLIDAAVPANRACGH
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 chain4ysb Chain A Residue 301 [Download ligand structure] [Download structure with residue number starting from 1] [View ligand structure]
Receptor-Ligand Complex Structure
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PDB4ysb Characterizations of Two Bacterial Persulfide Dioxygenases of the Metallo-beta-lactamase Superfamily.
Resolution2.5015 Å
Binding residue
(original residue number in PDB)		H57 H112 D129
Binding residue
(residue number reindexed from 1)		H57 H112 D129
Annotation score1
Enzymatic activity
Catalytic site (original residue number in PDB) H57 H59 D61 H62 H112 D129 H170
Catalytic site (residue number reindexed from 1) H57 H59 D61 H62 H112 D129 H170
Enzyme Commision number ?
Gene Ontology
Molecular Function
GO:0046872 metal ion binding
GO:0050313 sulfur dioxygenase activity
Biological Process
GO:0006749 glutathione metabolic process
GO:0070813 hydrogen sulfide metabolic process

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Molecular Function
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Biological Process
External links
PDB RCSB:4ysb, PDBe:4ysb, PDBj:4ysb
PDBsum4ysb
PubMed26082492
UniProtQ1D4C9

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