Structure of PDB 1dtw Chain B Binding Site BS01

Receptor Information
>1dtw Chain B (length=326) Species: 9606 (Homo sapiens) [Search protein sequence] [Download receptor structure] [Download structure with residue number starting from 1] [View receptor structure]
QTQKMNLFQSVTSALDNSLAKDPTAVIFGEDVAFGGVFRCTVGLRDKYGK
DRVFNTPLCEQGIVGFGIGIAVTGATAIAEIQFADYIFPAFDQIVNEAAK
YRYRSGDLFNCGSLTIRSPWGCVGHGALYHSQSPEAFFAHCPGIKVVIPR
SPFQAKGLLLSCIEDKNPCIFFEPKILYRAAAEEVPIEPYNIPLSQAEVI
QEGSDVTLVAWGTQVHVIREVASMAKEKLGVSCEVIDLRTIIPWDVDTIC
KSVIKTGRLLISHEAPLTGGFASEISSTVQEECFLNLEAPISRVCGYDTP
FPHIFEPFYIPDKWKCYDALRKMINY
Ligand information
Ligand IDK
InChIInChI=1S/K/q+1
InChIKeyNPYPAHLBTDXSSS-UHFFFAOYSA-N
SMILES
SoftwareSMILES
ACDLabs 10.04
CACTVS 3.341
OpenEye OEToolkits 1.5.0		[K+]
FormulaK
NamePOTASSIUM ION
ChEMBLCHEMBL1233793
DrugBankDB01345
ZINC
PDB chain1dtw Chain B Residue 343 [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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PDB1dtw Crystal structure of human branched-chain alpha-ketoacid dehydrogenase and the molecular basis of multienzyme complex deficiency in maple syrup urine disease.
Resolution2.7 Å
Binding residue
(original residue number in PDB)		G128 S129 L130 T131 C178 I179 D181 N183 P184 C185
Binding residue
(residue number reindexed from 1)		G112 S113 L114 T115 C162 I163 D165 N167 P168 C169
Annotation score1
Enzymatic activity
Catalytic site (original residue number in PDB) E76 H146
Catalytic site (residue number reindexed from 1) E60 H130
Enzyme Commision number 1.2.4.4: 3-methyl-2-oxobutanoate dehydrogenase (2-methylpropanoyl-transferring).
Gene Ontology
Molecular Function
GO:0003824 catalytic activity

View graph for
Molecular Function
External links
PDB RCSB:1dtw, PDBe:1dtw, PDBj:1dtw
PDBsum1dtw
PubMed10745006
UniProtP21953|ODBB_HUMAN 2-oxoisovalerate dehydrogenase subunit beta, mitochondrial (Gene Name=BCKDHB)

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