Structure of PDB 6dhl Chain D Binding Site BS02

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 D 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)		R86 D119 V120 R459 K488 R491
Binding residue
(residue number reindexed from 1)		R81 D114 V115 R454 K483 R486
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

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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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