Structure of PDB 1xes Chain D Binding Site BS01

Receptor Information
>1xes Chain D (length=382) Species: 3349 (Pinus sylvestris) [Search protein sequence] [Download receptor structure] [Download structure with residue number starting from 1] [View receptor structure]
FEGFRKLQRADGFASILAIGTANPPNAVDQSTYPDFYFRITGNELKDKFK
RICSAIKQRYMYLTEEILKKNPDVCAFVEVPSLDARQAMLAMEVPRLAKE
AAEKAIQEWGQSKSGITHLIFCSTTTPDLPGADFEVAKLLGLHPSVKRVG
VFQHGCFAGGTVLRMAKDLAENNRGARVLVICSETTAVTFRGPSETHLDS
LVGQALFGDGASALIVGADPIPQVEKACFEIVWTAQTVVPNSEGAIGGKV
REVGLTFQLKGAVPDLISANIENCMVEAFSQFKISDWNKLFWVVHPGGRA
ILDRVEAKLNLDPTKLIPTRHVMSEYGNMSSACVHFILDQTRKASLQNGC
STTGEGLEMGVLFGFGPGLTIETVVLKSVPIQ
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 chain1xes Chain D Residue 5000 [Download ligand structure] [Download structure with residue number starting from 1] [View ligand structure]
Receptor-Ligand Complex Structure
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PDB1xes Crystal structure of stilbene synthase from Pinus sylvestris
Resolution1.7 Å
Binding residue
(original residue number in PDB)		C167 F218 I257 G258 F268 H306
Binding residue
(residue number reindexed from 1)		C156 F207 I246 G247 F257 H295
Annotation score1
Enzymatic activity
Catalytic site (original residue number in PDB) C167 F218 H306 N339
Catalytic site (residue number reindexed from 1) C156 F207 H295 N328
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:1xes, PDBe:1xes, PDBj:1xes
PDBsum1xes
PubMed
UniProtQ02323|DPSS_PINSY Pinosylvin synthase

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