Structure of PDB 4obu Chain E Binding Site BS01

Receptor Information
>4obu Chain E (length=462) Species: 411470 (Mediterraneibacter gnavus ATCC 29149) [Search protein sequence] [Download receptor structure] [Download structure with residue number starting from 1] [View receptor structure]
TEYILNSTQLEEAIKSFVHDFCAEKHEIHDQPVVVEAKEHQEDKIKQIKI
PEKGRPVNEVVSEMMNEVYRYRGDANHPRFFSFVPGPASSVSWLGDIMTS
AYNIHAGGSKLAPMVNCIEQEVLKWLAKQVGFTENPGGVFVSGGSMANIT
ALTAARDNKLTDINLHLGTAYISDQTHSSVAKGLRIIGITDSRIRRIPTN
SHFQMDTTKLEEAIETDKKSGYIPFVVIGTAGTTNTGSIDPLTEISALCK
KHDMWFHIDGAYGASVLLSPKYKSLLTGTGLADSISWDAHKWLFQTYGCA
MVLVKDIRNLFHSFHVNPEYLDIGMELTRPARGLKLWLTLQVLGSDLIGS
AIEHGFQLAVWAEEALNPKKDWEIVSPAQMAMINFRYAPKDLTKEEQDIL
NEKISHRILESGYAAIFTTVLNGKTVLRICAIHPEATQEDMQHTIDLLDQ
YGREIYTEMKKA
Ligand information
Ligand IDPLP
InChIInChI=1S/C8H10NO6P/c1-5-8(11)7(3-10)6(2-9-5)4-15-16(12,13)14/h2-3,11H,4H2,1H3,(H2,12,13,14)
InChIKeyNGVDGCNFYWLIFO-UHFFFAOYSA-N
SMILES
SoftwareSMILES
CACTVS 3.341Cc1ncc(CO[P](O)(O)=O)c(C=O)c1O
OpenEye OEToolkits 1.5.0Cc1c(c(c(cn1)COP(=O)(O)O)C=O)O
ACDLabs 10.04O=P(O)(O)OCc1cnc(c(O)c1C=O)C
FormulaC8 H10 N O6 P
NamePYRIDOXAL-5'-PHOSPHATE;
VITAMIN B6 Phosphate
ChEMBLCHEMBL82202
DrugBankDB00114
ZINCZINC000001532514
PDB chain4obu Chain E Residue 501 [Download ligand structure] [Download structure with residue number starting from 1] [View ligand structure]
Receptor-Ligand Complex Structure
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PDB4obu Discovery and Characterization of Gut Microbiota Decarboxylases that Can Produce the Neurotransmitter Tryptamine.
Resolution2.804 Å
Binding residue
(original residue number in PDB)		F98 G159 S160 H192 T249 D274 A276 K306 Y312
Binding residue
(residue number reindexed from 1)		F83 G144 S145 H177 T234 D259 A261 K291 Y297
Annotation score1
Enzymatic activity
Enzyme Commision number 4.1.1.105: L-tryptophan decarboxylase.
Gene Ontology
Molecular Function
GO:0004058 aromatic-L-amino-acid decarboxylase activity
GO:0016830 carbon-carbon lyase activity
GO:0016831 carboxy-lyase activity
GO:0030170 pyridoxal phosphate binding
GO:0036469 L-tryptophan decarboxylase activity
Biological Process
GO:0006520 amino acid metabolic process
GO:0006568 tryptophan metabolic 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:4obu, PDBe:4obu, PDBj:4obu
PDBsum4obu
PubMed25263219
UniProtA7B1V0|TRPDC_MEDG7 Tryptophan decarboxylase (Gene Name=RUMGNA_01526)

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