Structure of PDB 4rlg Chain D Binding Site BS03

Receptor Information
>4rlg Chain D (length=470) Species: 479434 (Sphaerobacter thermophilus DSM 20745) [Search protein sequence] [Download receptor structure] [Download structure with residue number starting from 1] [View receptor structure]
NAMDSRFLPATAFIDPEGRNRNEVERLVQQVVDLILAKLTGAAERPPMPE
ITIPEAAATEATLLQAIRDMVDGSMNPANPGYIGHMDPMPATMAILGDLV
AAAVNNNMLSLEMSPSFSRLETLLLRAIAGLFGLGEQAGGVLTSGGSLAN
LQALAVARNVAFDSVEPGITGLAQRPVIFASEAAHTSLQKAAMLLGLGTA
AVIPVRATADSRMDPEDLRARIDQARGAGQHPFCVVATAGTTTTGNIDPL
AEIGAIAREHGLWFHVDAAYGGALVFSERHRWRLAGIEQADSITFNPQKW
LYVAKTCAMVLFRDAGVLERAFRIPPYMRATDGFINLGEIGVQGTRHADV
VKLWLTLQHIGQQGYARLIDDGYRLAERVVEGVRQRPFLRLAGEIDTNIV
CFRGEPDWLPAERWDDWNAALQALLLREGKIFLSLPVYRGGRWLRAVLLN
PYTTDAVIDAMFKQIDRFAG
Ligand information
Ligand IDABU
InChIInChI=1S/C4H9NO2/c5-3-1-2-4(6)7/h1-3,5H2,(H,6,7)
InChIKeyBTCSSZJGUNDROE-UHFFFAOYSA-N
SMILES
SoftwareSMILES
CACTVS 3.370NCCCC(O)=O
ACDLabs 12.01O=C(O)CCCN
OpenEye OEToolkits 1.7.0C(CC(=O)O)CN
FormulaC4 H9 N O2
NameGAMMA-AMINO-BUTANOIC ACID;
GAMMA(AMINO)-BUTYRIC ACID
ChEMBLCHEMBL96
DrugBankDB02530
ZINCZINC000001532620
PDB chain4rlg Chain D Residue 503 [Download ligand structure] [Download structure with residue number starting from 1] [View ligand structure]
Receptor-Ligand Complex Structure
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PDB4rlg The clear crystal structure of pyridoxal-dependent decarboxylase from sphaerobacter thermophilus dsm 20745
Resolution1.901 Å
Binding residue
(original residue number in PDB)		A189 H190 T191 Q194
Binding residue
(residue number reindexed from 1)		A184 H185 T186 Q189
Annotation score5
Enzymatic activity
Enzyme Commision number 4.1.1.15: glutamate decarboxylase.
Gene Ontology
Molecular Function
GO:0016829 lyase activity
GO:0016830 carbon-carbon lyase activity
GO:0016831 carboxy-lyase activity
GO:0030170 pyridoxal phosphate binding
Biological Process
GO:0019752 carboxylic acid metabolic process
Cellular Component
GO:0005737 cytoplasm

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Molecular Function
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Biological Process
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Cellular Component
External links
PDB RCSB:4rlg, PDBe:4rlg, PDBj:4rlg
PDBsum4rlg
PubMed
UniProtD1C7D8

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