Structure of PDB 3ty7 Chain B Binding Site BS01

Receptor Information
>3ty7 Chain B (length=454) Species: 158878 (Staphylococcus aureus subsp. aureus Mu50) [Search protein sequence] [Download receptor structure] [Download structure with residue number starting from 1] [View receptor structure]
AMRDYTKQYINGEWVESNSNETIEVINPATEEVIGKVAKGNKADVDKAVE
AADDVYLEFRHTSVKERQALLDKIVKEYENRKDDIVQAITDELGAPLSLS
ERVHYQMGLNHFVAARDALDNYEFEERRGDDLVVKEAIGVSGLITPWNFP
TNQTSLKLAAAFAAGSPVVLKPSEETPFAAVILAEIFDKVGVPKGVFNLV
NGDGAGVGNPLSEHPKVRMMSFTGSGPTGSKIMEKAAKDFKKVSLELGGK
SPYIVLDDVDIKEAAKATTGKVVNNTGQVCTAGTRVLVPNKIKDAFLAEL
KEQFSQVRVGNPREDGTQVGPIISKKQFDQVQNYINKGIEEGAELFYGGP
GKPEGLEKGYFARPTIFINVDNQMTIAQEEIFGPVMSVITYNDLDEAIQI
ANDTKYGLAGYVIGKDKETLHKVARSIEAGTVEINEAGGIEEFLEVKSIA
GYFK
Ligand information
Ligand IDMG
InChIInChI=1S/Mg/q+2
InChIKeyJLVVSXFLKOJNIY-UHFFFAOYSA-N
SMILES
SoftwareSMILES
ACDLabs 10.04
OpenEye OEToolkits 1.5.0		[Mg+2]
CACTVS 3.341[Mg++]
FormulaMg
NameMAGNESIUM ION
ChEMBL
DrugBankDB01378
ZINC
PDB chain3ty7 Chain B Residue 484 [Download ligand structure] [Download structure with residue number starting from 1] [View ligand structure]
Receptor-Ligand Complex Structure
Global viewLocal viewStructure summary

[Spin on] [Spin off] [Reset]
[High quality] [Low quality]
[White background] [Black background]
[Spin on] [Spin off] [Reset]
[High quality] [Low quality]
[White background] [Black background]
PDB3ty7 Crystal Structure of Aldehyde Dehydrogenase family Protein from Staphylococcus aureus
Resolution2.4 Å
Binding residue
(original residue number in PDB)		I25 E174
Binding residue
(residue number reindexed from 1)		I26 E175
Annotation score1
Enzymatic activity
Catalytic site (original residue number in PDB) N147 K170 E245 C279 E379
Catalytic site (residue number reindexed from 1) N148 K171 E246 C280 E380
Enzyme Commision number 1.2.1.3: aldehyde dehydrogenase (NAD(+)).
Gene Ontology
Molecular Function
GO:0004029 aldehyde dehydrogenase (NAD+) activity
GO:0016491 oxidoreductase activity
GO:0016620 oxidoreductase activity, acting on the aldehyde or oxo group of donors, NAD or NADP as acceptor
Biological Process
GO:0006081 cellular aldehyde metabolic process

View graph for
Molecular Function
View graph for
Biological Process
External links
PDB RCSB:3ty7, PDBe:3ty7, PDBj:3ty7
PDBsum3ty7
PubMed
UniProtQ99SD6|ALDH_STAAM Putative aldehyde dehydrogenase (Gene Name=SAV2122)

[Back to BioLiP]