Structure of PDB 1gp6 Chain A Binding Site BS02

Receptor Information
>1gp6 Chain A (length=349) 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
AVFCEPPKDKIVLKPLPEMVSVESPAKFPPRTFAQHIEHKLFGKEQEEL
Ligand information
Ligand IDDH2
InChIInChI=1S/C15H12O7/c16-7-4-10(19)12-11(5-7)22-15(14(21)13(12)20)6-1-2-8(17)9(18)3-6/h1-5,14-19,21H/t14-,15+/m1/s1
InChIKeyCXQWRCVTCMQVQX-CABCVRRESA-N
SMILES
SoftwareSMILES
CACTVS 3.341O[CH]1[CH](Oc2cc(O)cc(O)c2C1=O)c3ccc(O)c(O)c3
ACDLabs 10.04O=C2c3c(OC(c1ccc(O)c(O)c1)C2O)cc(O)cc3O
OpenEye OEToolkits 1.5.0c1cc(c(cc1[C@H]2[C@@H](C(=O)c3c(cc(cc3O2)O)O)O)O)O
OpenEye OEToolkits 1.5.0c1cc(c(cc1C2C(C(=O)c3c(cc(cc3O2)O)O)O)O)O
CACTVS 3.341O[C@H]1[C@@H](Oc2cc(O)cc(O)c2C1=O)c3ccc(O)c(O)c3
FormulaC15 H12 O7
Name(2S,3S)-2-(3,4-DIHYDROXYPHENYL)-3,5,7-TRIHYDROXY-2,3-DIHYDRO-4H-CHROMEN-4-ONE;
(2S,3S)-TRANS-DIHYDROQUERCETIN
ChEMBLCHEMBL209462
DrugBank
ZINCZINC000000105082
PDB chain1gp6 Chain A Residue 385 [Download ligand structure] [Download structure with residue number starting from 1] [View ligand structure]
Receptor-Ligand Complex Structure
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PDB1gp6 Structure and Mechanism of Anthocyanidin Synthase from Arabidopsis Thaliana.
Resolution1.75 Å
Binding residue
(original residue number in PDB)		F144 T233 V235 E306 K341
Binding residue
(residue number reindexed from 1)		F143 T232 V234 E305 K340
Annotation score2
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

View graph for
Molecular Function
View graph for
Biological Process
External links
PDB RCSB:1gp6, PDBe:1gp6, PDBj:1gp6
PDBsum1gp6
PubMed11796114
UniProtQ96323|LDOX_ARATH Leucoanthocyanidin dioxygenase (Gene Name=LDOX)

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