Structure of PDB 4rlg Chain C Binding Site BS01

Receptor Information
>4rlg Chain C (length=469) 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
LYVAKTCAMVLFRDAGVLERAFRIPAYMRTDGFINLGEIGVQGTRHADVV
KLWLTLQHIGQQGYARLIDDGYRLAERVVEGVRQRPFLRLAGEIDTNIVC
FRGEPDWLPAERWDDWNAALQALLLREGKIFLSLPVYRGGRWLRAVLLNP
YTTDAVIDAMFKQIDRFAG
Ligand information
Ligand IDPMP
InChIInChI=1S/C8H13N2O5P/c1-5-8(11)7(2-9)6(3-10-5)4-15-16(12,13)14/h3,11H,2,4,9H2,1H3,(H2,12,13,14)
InChIKeyZMJGSOSNSPKHNH-UHFFFAOYSA-N
SMILES
SoftwareSMILES
ACDLabs 10.04O=P(O)(O)OCc1cnc(c(O)c1CN)C
OpenEye OEToolkits 1.5.0Cc1c(c(c(cn1)COP(=O)(O)O)CN)O
CACTVS 3.341Cc1ncc(CO[P](O)(O)=O)c(CN)c1O
FormulaC8 H13 N2 O5 P
Name4'-DEOXY-4'-AMINOPYRIDOXAL-5'-PHOSPHATE;
PYRIDOXAMINE-5'-PHOSPHATE
ChEMBLCHEMBL1235353
DrugBankDB02142
ZINCZINC000001532708
PDB chain4rlg Chain C Residue 501 [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)		M91 G150 G151 S152 H190 T247 D272 A274 N301 X304
Binding residue
(residue number reindexed from 1)		M86 G145 G146 S147 H185 T242 D267 A269 N296 X299
Annotation score1
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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