Structure of PDB 6ygg Chain A Binding Site BS02

Receptor Information
>6ygg Chain A (length=209) Species: 330879 (Aspergillus fumigatus Af293) [Search protein sequence] [Download receptor structure] [Download structure with residue number starting from 1] [View receptor structure]
DSLFPARCWPDPCAGITFQNDTYVCGDPRLGPVVLPQKFPLNNELRTYAR
FGALCPAEFLDKWATDVAPNGTYIYPPANGFALDTEEQPILGNATLPVGM
KLDRFGSEYGTFLAPLGAPYIERSLPPSNLNTFDGMYPYNYHVYQVTKEF
VVGLGPIAPWFEQPGMGTQFVTYTNVLGLIDDGYLRRLDESEYDEKVEYS
NPYTPGPNQ
Ligand information
Ligand IDCA
InChIInChI=1S/Ca/q+2
InChIKeyBHPQYMZQTOCNFJ-UHFFFAOYSA-N
SMILES
SoftwareSMILES
CACTVS 3.341[Ca++]
ACDLabs 10.04
OpenEye OEToolkits 1.5.0		[Ca+2]
FormulaCa
NameCALCIUM ION
ChEMBL
DrugBankDB14577
ZINC
PDB chain6ygg Chain A Residue 307 [Download ligand structure] [Download structure with residue number starting from 1] [View ligand structure]
Receptor-Ligand Complex Structure
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PDB6ygg Discovery of fungal surface NADases predominantly present in pathogenic species.
Resolution1.85 Å
Binding residue
(original residue number in PDB)		S216 D219 E220 E223
Binding residue
(residue number reindexed from 1)		S191 D194 E195 E198
Annotation score1
Enzymatic activity
Enzyme Commision number 3.2.2.-
3.2.2.5: NAD(+) glycohydrolase.
Gene Ontology
Molecular Function
GO:0050135 NADP+ nucleosidase activity

View graph for
Molecular Function
External links
PDB RCSB:6ygg, PDBe:6ygg, PDBj:6ygg
PDBsum6ygg
PubMed33712585
UniProtQ4WL81|NADA_ASPFU Conidial surface nicotinamide adenine dinucleotide glycohydrolase nadA (Gene Name=nadA)

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