Structure of PDB 1say Chain A Binding Site BS01

Receptor Information
>1say Chain A (length=361) Species: 32060 (Phormidium lapideum) [Search protein sequence] [Download receptor structure] [Download structure with residue number starting from 1] [View receptor structure]
MEIGVPKEIKNQEFRVGLSPSSVRTLVEAGHTVFIETQAGIGAGFADQDY
VQAGAQVVPSAKDAWSREMVVKVKEPLPAEYDLMQKDQLLFTYLHLAAAR
ELTEQLMRVGLTAIAYETVELPNRSLPLLTPMSIIAGRLSVQFGARFLER
QQGGRGVLLGGVPGVKPGKVVILGGGVVGTEAAKMAVGLGAQVQIFDINV
ERLSYLETLFGSRVELLYSNSAEIETAVAEADLLIGAVLVPGRRAPILVP
ASLVEQMRTGSVIVDVAVDQGGCVETLHPTSHTQPTYEVFGVVHYGVPNM
PGAVPWTATQALNNSTLPYVVKLANQGLKALETDDALAKGLNVQAHRLVH
PAVQQVFPDLA
Ligand information
Ligand IDPYR
InChIInChI=1S/C3H4O3/c1-2(4)3(5)6/h1H3,(H,5,6)
InChIKeyLCTONWCANYUPML-UHFFFAOYSA-N
SMILES
SoftwareSMILES
CACTVS 3.385CC(=O)C(O)=O
OpenEye OEToolkits 1.7.6CC(=O)C(=O)O
ACDLabs 12.01O=C(C(=O)O)C
FormulaC3 H4 O3
NamePYRUVIC ACID
ChEMBLCHEMBL1162144
DrugBankDB00119
ZINCZINC000001532517
PDB chain1say Chain A Residue 501 [Download ligand structure] [Download structure with residue number starting from 1] [View ligand structure]
Receptor-Ligand Complex Structure
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PDB1say Analysis of the structure and substrate binding of Phormidium lapideum alanine dehydrogenase.
Resolution2.1 Å
Binding residue
(original residue number in PDB)		R15 K74 Y93 H95
Binding residue
(residue number reindexed from 1)		R15 K74 Y93 H95
Annotation score5
Enzymatic activity
Catalytic site (original residue number in PDB) R15 K74 Y93 H95 E117 L121 P127 T130 D269
Catalytic site (residue number reindexed from 1) R15 K74 Y93 H95 E117 L121 P127 T130 D269
Enzyme Commision number 1.4.1.1: alanine dehydrogenase.
Gene Ontology
Molecular Function
GO:0000166 nucleotide binding
GO:0000286 alanine dehydrogenase activity
GO:0016491 oxidoreductase activity
Biological Process
GO:0006524 alanine catabolic process
GO:0042853 L-alanine catabolic process
Cellular Component
GO:0005886 plasma membrane

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Molecular Function
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Biological Process
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Cellular Component
External links
PDB RCSB:1say, PDBe:1say, PDBj:1say
PDBsum1say
PubMed9665169
UniProtO52942

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