Structure of PDB 6dhl Chain D Binding Site BS01

Receptor Information
>6dhl Chain D (length=496) Species: 9913 (Bos taurus) [Search protein sequence] [Download receptor structure] [Download structure with residue number starting from 1] [View receptor structure]
DPNFFKMVEGFFDRGASIVEDKLVEDLKTRETEEQKRNRVRGILRIIKPC
NHVLSLSFPIRRDDGSWEVIEGYRAQHSQHRTPCKGGIRYSTDVSVDEVK
ALASLMTYKCAVVDVPFGGAKAGVKINPKNYTDNELEKITRRFTMELAKK
GFIGPGVDVPAPDMSTGEREMSWIADTYASTIGHYDINAHACVTGKPISQ
GGIHGRISATGRGVFHGIENFINEASYMSILGMTPGFGDKTFAVQGFGNV
GLHSMRYLHRFGAKCVAVGESDGSIWNPDGIDPKELEDFKLQHGTILGFP
KAKIYEGSILEVDCDILIPAASEKQLTKSNAPRVKAKIIAEGANGPTTPE
ADKIFLERNIMVIPDLYLNAGGVTVSYFEWLKNLNHVSYGRLTFKYERDS
NYHLLMSVQESLERKFGKHGGTIPIVPTAEFQDRISGASEKDIVHSGLAY
TMERSARQIMRTAMKYNLGLDLRTAAYVNAIEKVFRVYNEAGVTFT
Ligand information
Ligand IDXEG
InChIInChI=1S/C22H18O10/c23-11-6-14(25)12-8-19(32-22(30)10-4-16(27)20(29)17(28)5-10)21(31-18(12)7-11)9-1-2-13(24)15(26)3-9/h1-7,19,21,23-29H,8H2/t19-,21+/m0/s1
InChIKeyLSHVYAFMTMFKBA-PZJWPPBQSA-N
SMILES
SoftwareSMILES
CACTVS 3.370Oc1cc(O)c2C[CH](OC(=O)c3cc(O)c(O)c(O)c3)[CH](Oc2c1)c4ccc(O)c(O)c4
OpenEye OEToolkits 1.7.0c1cc(c(cc1C2C(Cc3c(cc(cc3O2)O)O)OC(=O)c4cc(c(c(c4)O)O)O)O)O
CACTVS 3.370Oc1cc(O)c2C[C@H](OC(=O)c3cc(O)c(O)c(O)c3)[C@H](Oc2c1)c4ccc(O)c(O)c4
OpenEye OEToolkits 1.7.0c1cc(c(cc1[C@@H]2[C@H](Cc3c(cc(cc3O2)O)O)OC(=O)c4cc(c(c(c4)O)O)O)O)O
ACDLabs 12.01O=C(OC2Cc3c(OC2c1ccc(O)c(O)c1)cc(O)cc3O)c4cc(O)c(O)c(O)c4
FormulaC22 H18 O10
Name(2R,3S)-2-(3,4-dihydroxyphenyl)-5,7-dihydroxy-3,4-dihydro-2H-chromen-3-yl 3,4,5-trihydroxybenzoate
ChEMBLCHEMBL483083
DrugBankDB16120
ZINCZINC000004534390
PDB chain6dhl Chain C Residue 601 [Download ligand structure] [Download structure with residue number starting from 1] [View ligand structure]
Receptor-Ligand Complex Structure
Global viewLocal viewStructure summary

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PDB6dhl Green tea polyphenols control dysregulated glutamate dehydrogenase in transgenic mice by hijacking the ADP activation site.
Resolution3.624 Å
Binding residue
(original residue number in PDB)		K387 S393 R396
Binding residue
(residue number reindexed from 1)		K382 S388 R391
Annotation score1
Enzymatic activity
Enzyme Commision number 1.4.1.3: glutamate dehydrogenase [NAD(P)(+)].
Gene Ontology
Molecular Function
GO:0016491 oxidoreductase activity
GO:0016639 oxidoreductase activity, acting on the CH-NH2 group of donors, NAD or NADP as acceptor
Biological Process
GO:0006520 amino acid metabolic process

View graph for
Molecular Function
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Biological Process
External links
PDB RCSB:6dhl, PDBe:6dhl, PDBj:6dhl
PDBsum6dhl
PubMed21813650
UniProtP00366|DHE3_BOVIN Glutamate dehydrogenase 1, mitochondrial (Gene Name=GLUD1)

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