Structure of PDB 6gud Chain A Binding Site BS01

Receptor Information
>6gud Chain A (length=282) Species: 330879 (Aspergillus fumigatus Af293) [Search protein sequence] [Download receptor structure] [Download structure with residue number starting from 1] [View receptor structure]
PTPVPLPNSEQFYLENDRGEPYLIQVSWPLHWEDKQTGRGPLPIIYIVDG
NALFLTATEAAWRRAAASHFAGGGIIVAIGYPLKGKLYDARRRSFDLTPP
TACAPVGYGGADVFLDFIENSVRPAVQARFPQVSLAREALYGHSYGGLLA
LHALFTRPQSFDCYIASSPSIWWNSLCILHEAKAFVETKQSPSLMVSWGS
WEQHPPRWADELLDHYEARKRTAAELRMADNALDLCAMLHGCSRLHALIK
TEYEGEDHTSVMSCSVSRGLTMFFEDWPFHQS
Ligand information
Ligand IDCO3
InChIInChI=1S/CH2O3/c2-1(3)4/h(H2,2,3,4)/p-2
InChIKeyBVKZGUZCCUSVTD-UHFFFAOYSA-L
SMILES
SoftwareSMILES
OpenEye OEToolkits 1.5.0C(=O)([O-])[O-]
ACDLabs 10.04
CACTVS 3.341		[O-]C([O-])=O
FormulaC O3
NameCARBONATE ION
ChEMBL
DrugBankDB14531
ZINC
PDB chain6gud Chain A Residue 310 [Download ligand structure] [Download structure with residue number starting from 1] [View ligand structure]
Receptor-Ligand Complex Structure
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PDB6gud Iron Scavenging in Aspergillus Species: Structural and Biochemical Insights into Fungal Siderophore Esterases.
Resolution1.7 Å
Binding residue
(original residue number in PDB)		R97 S148 Y149
Binding residue
(residue number reindexed from 1)		R93 S144 Y145
Annotation score3
Enzymatic activity
Enzyme Commision number 3.1.-.-
Gene Ontology
Molecular Function
GO:0016787 hydrolase activity
GO:0016788 hydrolase activity, acting on ester bonds
Biological Process
GO:0033214 siderophore-dependent iron import into cell
Cellular Component
GO:0005737 cytoplasm

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Molecular Function
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Biological Process
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Cellular Component
External links
PDB RCSB:6gud, PDBe:6gud, PDBj:6gud
PDBsum6gud
PubMed30070018
UniProtQ4WF29|ESTB_ASPFU Siderophore triacetylfusarinine C esterase (Gene Name=estB)

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