Structure of PDB 7wpy Chain A Binding Site BS01

Receptor Information
>7wpy Chain A (length=268) Species: 1549217 (Aspergillus stellatus) [Search protein sequence] [Download receptor structure] [Download structure with residue number starting from 1] [View receptor structure]
SMPPIRRVNASQGSDAAYQILQEDGCVIVEQVICPNIIAKISDDVNRVMM
HNRTIHMGDLVLTSKTYRDELLNLPFAHEVLEKVFKKDSGDYWLNAGVIL
NMLPGAEAQRPHRDDYLYPVSQHMDPATSPDLMINITFPLNEFRHDNGGT
LLLPKSHTGPNADFYANAEDLPAAEMQVGDALIFTGKCVHGGGANRSDKP
RIGLALAAQPGYLTPRESNVNVPRDIVETMTPLAQRMIGWGTVRTKDTYG
LNMLQDKDFHEALGLKSK
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 chain7wpy 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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PDB7wpy AndA_M119A_N121V variant
Resolution2.25 Å
Binding residue
(original residue number in PDB)		H135 D137 H213
Binding residue
(residue number reindexed from 1)		H112 D114 H190
Annotation score4
Enzymatic activity
Enzyme Commision number 1.14.11.-
Gene Ontology
Molecular Function
GO:0046872 metal ion binding
GO:0051213 dioxygenase activity
Biological Process
GO:0016114 terpenoid biosynthetic process

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Molecular Function
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Biological Process
External links
PDB RCSB:7wpy, PDBe:7wpy, PDBj:7wpy
PDBsum7wpy
PubMed
UniProtA0A097ZPD5|ANDA_EMEVA Dioxygenase andA (Gene Name=andA)

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