Structure of PDB 6khn Chain A Binding Site BS01

Receptor Information
>6khn Chain A (length=490) Species: 39947 (Oryza sativa Japonica Group) [Search protein sequence] [Download receptor structure] [Download structure with residue number starting from 1] [View receptor structure]
TFQPLNADDVRSYLHKAVDFISDYYKSVESMPVLPNVKPGYLQDELRASP
PTYSAPFDVTMKELRSSVVPGMTHWASPNFFAFFPSTNSAAAIAGDLIAS
AMNTVGFTWQASPAATEMEVLALDWLAQMLNLPTSFMNGRGTGGGVILGT
TSEAMLVTLVAARDAALRRSGSDGVAGLHRLAVYAADQTHSTFFKACRLA
GFDPANIRSIPTGAETDYGLDPARLLEAMQADADAGLVPTYVCATVGTTS
SNAVDPVGAVADVAARFAAWVHVDAAYAGSACICPEFRHHLDGVERVDSI
SMSPHKWLMTCLDCTCLYVRDTHRLTGSLETNPEYLKNHASDSGEVTDLK
DMQVGVGRRFRGLKLWMVMRTYGVAKLQEHIRSDVAMAKVFEDLVRGDDR
FEVVVPRNFALVCFRIRAGAGAAAATEEDADEANRELMERLNKTGKAYVA
HTVVGGRFVLRFAVGSSLQEEHHVRSAWELIKKTTTEMMN
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 chain6khn Chain A Residue 601 [Download ligand structure] [Download structure with residue number starting from 1] [View ligand structure]
Receptor-Ligand Complex Structure
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PDB6khn Crystal structure ofOryza sativaTDC reveals the substrate specificity for TDC-mediated melatonin biosynthesis.
Resolution2.293 Å
Binding residue
(original residue number in PDB)		F104 T174 T175 S176 H214 D298 A300 K330
Binding residue
(residue number reindexed from 1)		F84 T150 T151 S152 H190 D274 A276 K306
Annotation score1
Enzymatic activity
Enzyme Commision number 4.1.1.28: aromatic-L-amino-acid decarboxylase.
Gene Ontology
Molecular Function
GO:0016830 carbon-carbon lyase activity
GO:0016831 carboxy-lyase activity
GO:0030170 pyridoxal phosphate binding
GO:0036467 5-hydroxy-L-tryptophan decarboxylase activity
GO:0036469 L-tryptophan decarboxylase activity
Biological Process
GO:0006520 amino acid metabolic process
GO:0006587 serotonin biosynthetic process from tryptophan
GO:0019752 carboxylic acid metabolic process
GO:0042427 serotonin biosynthetic 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:6khn, PDBe:6khn, PDBj:6khn
PDBsum6khn
PubMed32595985
UniProtQ6ZJK7|TDC1_ORYSJ Tryptophan decarboxylase 1 (Gene Name=TDC1)

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