Structure of PDB 6u3j Chain B Binding Site BS03

Receptor Information
>6u3j Chain B (length=876) Species: 9606 (Homo sapiens) [Search protein sequence] [Download receptor structure] [Download structure with residue number starting from 1] [View receptor structure]
GVYGYRPPVDHGLARLVTVYCEHGHKAAKINPLFTGQALLENVPEIQALV
QTLQGPFHTAGLLNMGKEEASLEEVLVYLNQIYCGQISIETSQLQSQDEK
DWFAKRFEELQKETFTTEERKHLSKLMLESQEFDHFLATKFSTVKRYGGE
GAESMMGFFHELLKMSAYSGITDVIIGMPHRGRLNLLTGLLQFPPELMFR
KMRGLSEFPENFSATGDVLSHLTSSVDLYFGAHHPLHVTMLPNPSHLEAV
NPVAVGKTRGRQQSRQDGDYSPDNSAQPGDRVICLQVHGDASFCGQGIVP
ETFTLSNLPHFRIGGSVHLIVNNQLGYTTPAERGRSSLYCSDIGKLVGCA
IIHVNGDSPEEVVRATRLAFEYQRQFRKDVIIDLLCYRQWGHNELDEPFY
TNPIMYKIIRARKSIPDTYAEHLIAGGLMTQEEVSEIKSSYYAKLNDHLN
NMAHYRPPALNLQAHWQGLAQPEAQITTWSTGVPLDLLRFVGMKSVEVPR
ELQMHSHLLKTHVQSRMEKMMDGIKLDWATAEALALGSLLAQGFNVRLSG
QDVGRGTFSQRHAIVVCQETDDTYIPLNHMDPNQKGFLEVSNSPLSEEAV
LGFEYGMSIESPKLLPLWEAQFGDFFNGAQIIFDTFISGGEAKWLLQSGI
VILLPHGYDGAGPDHSSCRIERFLQMCDSAEEGVDGDTVNMFVVHPTTPA
QYFHLLRRQMVRNFRKPLIVASPKMLLRLPAAVSTLQEMAPGTTFNPVIG
DSSVDPKKVKTLVFCSGKHFYSLVKQRESLGAKKHDFAIIRVEELCPFPL
DSLQQEMSKYKHVKDHIWSQEEPQNMGPWSFVSPRFEKQLACKLRLVGRP
PLPVPAVGIGTVHLHQHEDILAKTFA
Ligand information
Ligand IDMG
InChIInChI=1S/Mg/q+2
InChIKeyJLVVSXFLKOJNIY-UHFFFAOYSA-N
SMILES
SoftwareSMILES
ACDLabs 10.04
OpenEye OEToolkits 1.5.0		[Mg+2]
CACTVS 3.341[Mg++]
FormulaMg
NameMAGNESIUM ION
ChEMBL
DrugBankDB01378
ZINC
PDB chain6u3j Chain B Residue 1002 [Download ligand structure] [Download structure with residue number starting from 1] [View ligand structure]
Receptor-Ligand Complex Structure
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PDB6u3j Inhibition and Crystal Structure of the Human DHTKD1-Thiamin Diphosphate Complex.
Resolution2.25 Å
Binding residue
(original residue number in PDB)		D333 N366 L368
Binding residue
(residue number reindexed from 1)		D290 N323 L325
Annotation score1
Enzymatic activity
Enzyme Commision number 1.2.4.-
Gene Ontology
Molecular Function
GO:0004591 oxoglutarate dehydrogenase (succinyl-transferring) activity
GO:0005515 protein binding
GO:0016491 oxidoreductase activity
GO:0016624 oxidoreductase activity, acting on the aldehyde or oxo group of donors, disulfide as acceptor
GO:0030976 thiamine pyrophosphate binding
GO:0160166 2-oxoadipate dehydrogenase activity
Biological Process
GO:0002244 hematopoietic progenitor cell differentiation
GO:0006091 generation of precursor metabolites and energy
GO:0006096 glycolytic process
Cellular Component
GO:0005739 mitochondrion
GO:0005759 mitochondrial matrix
GO:0160167 oxoadipate dehydrogenase complex

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Molecular Function
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Biological Process
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Cellular Component
External links
PDB RCSB:6u3j, PDBe:6u3j, PDBj:6u3j
PDBsum6u3j
PubMed32633484
UniProtQ96HY7|DHTK1_HUMAN 2-oxoadipate dehydrogenase complex component E1 (Gene Name=DHTKD1)

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