Structure of PDB 2rds Chain A Binding Site BS01

Receptor Information
>2rds Chain A (length=261) Species: 33903 (Streptomyces avermitilis) [Search protein sequence] [Download receptor structure] [Download structure with residue number starting from 1] [View receptor structure]
TGDYTDCTPLLGDRAALDSFYEEHGYLFLRNVLDRDLVKTVAEQMREGLV
ALGAADPHATLEELTIDSFESVDEVAMHDYVKYDAFWNNPSTIKVFEQVF
GEPVFVFLSTTIRYYPSQAGSEEPSFHYLTPFHQDGFYIGPNQDFRTFWI
PLIRTTRESGGVALADGSHRRGKRDHVLNESFRRFGHPVRGIPPTEVSED
EHLLHSPMEPGDILLFHAHMCHKSIPNLSKDPRLMRMSMDTRVQPAKSHR
GFNAMTPWTES
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 chain2rds Chain A Residue 1 [Download ligand structure] [Download structure with residue number starting from 1] [View ligand structure]
Receptor-Ligand Complex Structure
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PDB2rds Crystal Structure of the Non-heme Iron Dioxygenase PtlH in Pentalenolactone Biosynthesis.
Resolution1.65 Å
Binding residue
(original residue number in PDB)
H137 D139 H226
Binding residue
(residue number reindexed from 1)
H133 D135 H222
Annotation score1
Enzymatic activity
Enzyme Commision number 1.14.11.35: 1-deoxypentalenic acid 11beta-hydroxylase.
Gene Ontology
Molecular Function
GO:0005506 iron ion binding
GO:0016706 2-oxoglutarate-dependent dioxygenase activity
GO:0031418 L-ascorbic acid binding
GO:0046872 metal ion binding
GO:0051213 dioxygenase activity
Biological Process
GO:0017000 antibiotic biosynthetic process
GO:1901336 lactone biosynthetic process

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Molecular Function

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Biological Process
External links
PDB RCSB:2rds, PDBe:2rds, PDBj:2rds
PDBsum2rds
PubMed17942405
UniProtQ82IZ1|PTLH_STRAW 1-deoxypentalenic acid 11-beta-hydroxylase (Gene Name=ptlH)

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