Structure of PDB 2brt Chain A Binding Site BS02

Receptor Information
>2brt Chain A (length=348) Species: 3702 (Arabidopsis thaliana) [Search protein sequence] [Download receptor structure] [Download structure with residue number starting from 1] [View receptor structure]
VAVERVESLAKSGIISIPKEYIRPKEELESINDVFLEEKKEDGPQVPTID
LKNIESDDEKIRENCIEELKKASLDWGVMHLINHGIPADLMERVKKAGEE
FFSLSVEEKEKYANDQATGKIQGYGSKLANNASGQLEWEDYFFHLAYPEE
KRDLSIWPKTPSDYIEATSEYAKCLRLLATKVFKALSVGLGLEPDRLEKE
VGGLEELLLQMKINYYPKCPQPELALGVEAHTDVSALTFILHNMVPGLQL
FYEGKWVTAKCVPDSIVMHIGDTLEILSNGKYKSILHRGLVNKEKVRISW
AVFCEPPKDKIVLKPLPEMVSVESPAKFPPRTFAQHIEHKLFGKEQEE
Ligand information
Ligand IDAKG
InChIInChI=1S/C5H6O5/c6-3(5(9)10)1-2-4(7)8/h1-2H2,(H,7,8)(H,9,10)
InChIKeyKPGXRSRHYNQIFN-UHFFFAOYSA-N
SMILES
SoftwareSMILES
ACDLabs 10.04O=C(O)C(=O)CCC(=O)O
OpenEye OEToolkits 1.7.6C(CC(=O)O)C(=O)C(=O)O
CACTVS 3.385OC(=O)CCC(=O)C(O)=O
FormulaC5 H6 O5
Name2-OXOGLUTARIC ACID
ChEMBLCHEMBL1686
DrugBankDB08845
ZINCZINC000001532519
PDB chain2brt Chain A Residue 1351 [Download ligand structure] [Download structure with residue number starting from 1] [View ligand structure]
Receptor-Ligand Complex Structure
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PDB2brt Structural and Mechanistic Studies on Anthocyanidin Synthase Catalysed Oxidation of Flavanone Substrates: The Effect of C-2 Stereochemistry on Product Selectivity and Mechanism
Resolution2.2 Å
Binding residue
(original residue number in PDB)		Y217 H232 H288 R298 S300
Binding residue
(residue number reindexed from 1)		Y216 H231 H287 R297 S299
Annotation score5
Enzymatic activity
Catalytic site (original residue number in PDB) K213 V229 H232 D234 L287 H288
Catalytic site (residue number reindexed from 1) K212 V228 H231 D233 L286 H287
Enzyme Commision number 1.14.20.4: anthocyanidin synthase.
Gene Ontology
Molecular Function
GO:0031418 L-ascorbic acid binding
GO:0046872 metal ion binding
GO:0050589 leucocyanidin oxygenase activity
GO:0051213 dioxygenase activity
Biological Process
GO:0007033 vacuole organization
GO:0009611 response to wounding
GO:0009718 anthocyanin-containing compound biosynthetic process
GO:0009753 response to jasmonic acid
GO:0009813 flavonoid biosynthetic process
GO:0010023 proanthocyanidin biosynthetic process

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Molecular Function
View graph for
Biological Process
External links
PDB RCSB:2brt, PDBe:2brt, PDBj:2brt
PDBsum2brt
PubMed16106293
UniProtQ96323|LDOX_ARATH Leucoanthocyanidin dioxygenase (Gene Name=LDOX)

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