Structure of PDB 7a8y Chain BBB Binding Site BS02
Receptor Information
>7a8y Chain BBB (length=94) Species:
562
(Escherichia coli) [
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SCAIDQDFLDAAGILENEAIDIWNVTNGKRFSTYAIAAERGSRIISVNGA
AAHCASVGDIVIIASFVTMPDEEARTWRPNVAYFEGDNEMKRTA
Ligand information
Ligand ID
PYR
InChI
InChI=1S/C3H4O3/c1-2(4)3(5)6/h1H3,(H,5,6)
InChIKey
LCTONWCANYUPML-UHFFFAOYSA-N
SMILES
Software
SMILES
CACTVS 3.385
CC(=O)C(O)=O
OpenEye OEToolkits 1.7.6
CC(=O)C(=O)O
ACDLabs 12.01
O=C(C(=O)O)C
Formula
C3 H4 O3
Name
PYRUVIC ACID
ChEMBL
CHEMBL1162144
DrugBank
DB00119
ZINC
ZINC000001532517
PDB chain
7a8y Chain BBB Residue 201 [
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Receptor-Ligand Complex Structure
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PDB
7a8y
Structure and diffusive dynamics of aspartate alpha-decarboxylase (ADC) liganded with D-serine in aqueous solution.
Resolution
1.75 Å
Binding residue
(original residue number in PDB)
S25 C26 T57 Y58 N72
Binding residue
(residue number reindexed from 1)
S1 C2 T33 Y34 N48
Annotation score
1
Enzymatic activity
Enzyme Commision number
4.1.1.11
: aspartate 1-decarboxylase.
Gene Ontology
Molecular Function
GO:0004068
aspartate 1-decarboxylase activity
Biological Process
GO:0006523
alanine biosynthetic process
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Molecular Function
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Biological Process
External links
PDB
RCSB:7a8y
,
PDBe:7a8y
,
PDBj:7a8y
PDBsum
7a8y
PubMed
35980136
UniProt
A0A4Y8GT61
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