Structure of PDB 1wa6 Chain X Binding Site BS01

Receptor Information
>1wa6 Chain X (length=298) Species: 4102 (Petunia x hybrida) [Search protein sequence] [Download receptor structure] [Download structure with residue number starting from 1] [View receptor structure]
ENFPIISLDKVNGVERAATMEMIKDACENWGFFELVNHGIPREVMDTVEK
MTKGHYKKCMEQRFKELVASKALEGVQAEVTDMDWESTFFLKHLPISNIS
EVPDLDEEYREVMRDFAKRLEKLAEELLDLLCENLGLEKGYLKNAFYGSK
GPNFGTKVSNYPPCPKPDLIKGLRAHTDAGGIILLFQDDKVSGLQLLKDG
QWIDVPPMRHSIVVNLGDQLEVITNGKYKSVMHRVIAQKDGARMSLASFY
NPGSDAVIYPAPALVQVYPKFVFDDYMKLYAGLKFQAKEPRFEAMKAM
Ligand information
Ligand IDFE2
InChIInChI=1S/Fe/q+2
InChIKeyCWYNVVGOOAEACU-UHFFFAOYSA-N
SMILES
SoftwareSMILES
ACDLabs 10.04
OpenEye OEToolkits 1.5.0		[Fe+2]
CACTVS 3.341[Fe++]
FormulaFe
NameFE (II) ION
ChEMBL
DrugBankDB14510
ZINC
PDB chain1wa6 Chain X Residue 1307 [Download ligand structure] [Download structure with residue number starting from 1] [View ligand structure]
Receptor-Ligand Complex Structure
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PDB1wa6 Crystal Structure and Mechanistic Implications of 1-Aminocyclopropane-1-Carboxylic Acid Oxidase (the Ethyling Forming Enzyme)
Resolution2.55 Å
Binding residue
(original residue number in PDB)		H177 D179 H234
Binding residue
(residue number reindexed from 1)		H176 D178 H233
Annotation score1
Enzymatic activity
Catalytic site (original residue number in PDB) H177 D179 H234
Catalytic site (residue number reindexed from 1) H176 D178 H233
Enzyme Commision number 1.14.17.4: aminocyclopropanecarboxylate oxidase.
Gene Ontology
Molecular Function
GO:0009815 1-aminocyclopropane-1-carboxylate oxidase activity
GO:0016491 oxidoreductase activity
GO:0016706 2-oxoglutarate-dependent dioxygenase activity
GO:0031418 L-ascorbic acid binding
GO:0046872 metal ion binding
Biological Process
GO:0002238 response to molecule of fungal origin
GO:0009693 ethylene biosynthetic process
GO:0009805 coumarin biosynthetic process

View graph for
Molecular Function
View graph for
Biological Process
External links
PDB RCSB:1wa6, PDBe:1wa6, PDBj:1wa6
PDBsum1wa6
PubMed15489165
UniProtQ08506|ACCO1_PETHY 1-aminocyclopropane-1-carboxylate oxidase 1 (Gene Name=ACO1)

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