Structure of PDB 1xet Chain D Binding Site BS01

Receptor Information
>1xet Chain D (length=384) Species: 3349 (Pinus sylvestris) [Search protein sequence] [Download receptor structure] [Download structure with residue number starting from 1] [View receptor structure]
FEGFRKLQRADGFASILAIGTANPPNAVDQSTYPDFYFRITGNEHNDKFK
RICERSAIKQRYMYLTEEILKKNPDVCAFVEVPSLDARQAMLAMEVPRLA
KEAAEKAIQEWGQSKSGITHLIFCSTTTPDLPGADFEVAKLLGLHPSVKR
VGVFQHGCFAGGTVLRMAKDLAENNRGARVLVICSETTAVTFRGPSETHL
DSLVGQALFGDGASALIVGADPIPQVEKACFEIVWTAQTVVPNSEGAIGG
KVREVGLTFQLKGAVPDLISANIENCMVEAFSQFKISDWNKLFWVVHPGG
RAILDRVEAKLNLDPTKLIPTRHVMSEYGNMSSACVHFILDQTRKASLQN
GCSTTGEGLEMGVLFGFGPGLTIETVVLKSVPIQ
Ligand information
Ligand ID3IO
InChIInChI=1S/C11H9NO3/c13-10(11(14)15)5-7-6-12-9-4-2-1-3-8(7)9/h1-4,6,12H,5H2,(H,14,15)
InChIKeyRSTKLPZEZYGQPY-UHFFFAOYSA-N
SMILES
SoftwareSMILES
ACDLabs 10.04O=C(O)C(=O)Cc2c1ccccc1nc2
OpenEye OEToolkits 1.5.0c1ccc2c(c1)c(c[nH]2)CC(=O)C(=O)O
CACTVS 3.341OC(=O)C(=O)Cc1c[nH]c2ccccc12
FormulaC11 H9 N O3
Name3-(1H-INDOL-3-YL)-2-OXOPROPANOIC ACID
ChEMBLCHEMBL485012
DrugBank
ZINCZINC000001532617
PDB chain1xet Chain D Residue 4000 [Download ligand structure] [Download structure with residue number starting from 1] [View ligand structure]
Receptor-Ligand Complex Structure
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PDB1xet Crystal structure of stilbene synthase from Pinus sylvestris, complexed with methylmalonyl CoA
Resolution2.0 Å
Binding residue
(original residue number in PDB)		C167 F218 I257 L266 F268 H306 F376
Binding residue
(residue number reindexed from 1)		C158 F209 I248 L257 F259 H297 F367
Annotation score1
Enzymatic activity
Catalytic site (original residue number in PDB) C167 F218 H306 N339
Catalytic site (residue number reindexed from 1) C158 F209 H297 N330
Enzyme Commision number 2.3.1.146: pinosylvin synthase.
Gene Ontology
Molecular Function
GO:0016746 acyltransferase activity
GO:0016747 acyltransferase activity, transferring groups other than amino-acyl groups
GO:0050198 pinosylvin synthase activity
Biological Process
GO:0009058 biosynthetic process
GO:0030639 polyketide 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:1xet, PDBe:1xet, PDBj:1xet
PDBsum1xet
PubMed
UniProtQ02323|DPSS_PINSY Pinosylvin synthase

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