Structure of PDB 6khn Chain A Binding Site BS02

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 IDSRO
InChIInChI=1S/C10H12N2O/c11-4-3-7-6-12-10-2-1-8(13)5-9(7)10/h1-2,5-6,12-13H,3-4,11H2
InChIKeyQZAYGJVTTNCVMB-UHFFFAOYSA-N
SMILES
SoftwareSMILES
OpenEye OEToolkits 1.5.0c1cc2c(cc1O)c(c[nH]2)CCN
ACDLabs 10.04Oc1cc2c(cc1)ncc2CCN
CACTVS 3.341NCCc1c[nH]c2ccc(O)cc12
FormulaC10 H12 N2 O
NameSEROTONIN;
3-(2-AMINOETHYL)-1H-INDOL-5-OL
ChEMBLCHEMBL39
DrugBankDB08839
ZINCZINC000000057058
PDB chain6khn Chain A Residue 602 [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)		F127 Y359 G381
Binding residue
(residue number reindexed from 1)		F107 Y335 G357
Annotation score5
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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