Structure of PDB 6yge Chain B Binding Site BS01

Receptor Information
>6yge Chain B (length=208) Species: 330879 (Aspergillus fumigatus Af293) [Search protein sequence] [Download receptor structure] [Download structure with residue number starting from 1] [View receptor structure]
SLFPARCWPDPCAGITFQNDTYVCGDPRLGPVVLPQKFPLNNELRTYARF
GALCPAEFLDKWATDVAPNGTYIYPPANGFALDTEEQPILGNATLPVGMK
LDRFGSEYGTFLAPLGAPYIERSLPPSNLNTFDGMYPYNYHVYQVTKEFV
VGLGPIAPWFEQPGMGTQFVTYTNVLGLIDDGYLRRLDESEYDEKVEYSN
PYTPGPNQ
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 chain6yge Chain B Residue 309 [Download ligand structure] [Download structure with residue number starting from 1] [View ligand structure]
Receptor-Ligand Complex Structure
Global viewLocal viewStructure summary

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PDB6yge Discovery of fungal surface NADases predominantly present in pathogenic species.
Resolution1.6 Å
Binding residue
(original residue number in PDB)		S216 D219 E220 E223
Binding residue
(residue number reindexed from 1)		S190 D193 E194 E197
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:6yge, PDBe:6yge, PDBj:6yge
PDBsum6yge
PubMed33712585
UniProtQ4WL81|NADA_ASPFU Conidial surface nicotinamide adenine dinucleotide glycohydrolase nadA (Gene Name=nadA)

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