Structure of PDB 3k6m Chain C Binding Site BS02

Receptor Information
>3k6m Chain C (length=466) Species: 9823 (Sus scrofa) [Search protein sequence] [Download receptor structure] [Download structure with residue number starting from 1] [View receptor structure]
TKFYTDAVEAVKDIPNGATVLVGGFGLCGIPENLIGALLKTGVKELTAVS
NNAGVDNFGLGLLLQSKQIKRMISSYVGENAEFERQYLAGELEVELTPQG
TLAERIRAGGAGVPAFYTSTGYGTLVQEGGSPIKYNKDGSIAIASKPREV
REFNGQHFILEEAIRGDFALVKAWKADQAGNVTFRKSARNFNLPMCKAAE
TTVVEVEEIVDIGSFAPEDIHIPKIYVHRLVKGEKYEKRIERLSVRNVRE
RIIKRAALEFEDGMYANLGIGIPLLASNFISPNMTVHLQSENGILGLGPY
PLQNEVDADLINAGKETVTVLPGASYFSSDESFAMIRGGHVNLTMLGAMQ
VSKYGDLANWMIPGKLVKGMGGAMDLVSSAKTKVVVTMEHSAKGNAHKIM
EKCTLPLTGKQCVNRIITEKAVFDVDRKKGLTLIELWEGLTVDDIKKSTG
CDFAVSPKLIPMQQVT
Ligand information
Ligand IDGOL
InChIInChI=1S/C3H8O3/c4-1-3(6)2-5/h3-6H,1-2H2
InChIKeyPEDCQBHIVMGVHV-UHFFFAOYSA-N
SMILES
SoftwareSMILES
OpenEye OEToolkits 1.7.0C(C(CO)O)O
ACDLabs 12.01
CACTVS 3.370		OCC(O)CO
FormulaC3 H8 O3
NameGLYCEROL;
GLYCERIN;
PROPANE-1,2,3-TRIOL
ChEMBLCHEMBL692
DrugBankDB09462
ZINCZINC000000895048
PDB chain3k6m Chain C Residue 5001 [Download ligand structure] [Download structure with residue number starting from 1] [View ligand structure]
Receptor-Ligand Complex Structure
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PDB3k6m The high-resolution structure of pig heart succinyl-CoA:3-oxoacid coenzyme A transferase.
Resolution1.5 Å
Binding residue
(original residue number in PDB)		V391 A394 T396 C426 N428
Binding residue
(residue number reindexed from 1)		V377 A380 T382 C412 N414
Annotation score1
Enzymatic activity
Enzyme Commision number 2.8.3.5: 3-oxoacid CoA-transferase.
Gene Ontology
Molecular Function
GO:0008260 succinyl-CoA:3-oxo-acid CoA-transferase activity
GO:0008410 CoA-transferase activity
GO:0016740 transferase activity
GO:0042803 protein homodimerization activity
Biological Process
GO:0006629 lipid metabolic process
GO:0046950 cellular ketone body metabolic process
GO:0046952 ketone body catabolic process
Cellular Component
GO:0005739 mitochondrion

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Molecular Function
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Biological Process
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Cellular Component
External links
PDB RCSB:3k6m, PDBe:3k6m, PDBj:3k6m
PDBsum3k6m
PubMed20606260
UniProtQ29551|SCOT1_PIG Succinyl-CoA:3-ketoacid coenzyme A transferase 1, mitochondrial (Gene Name=OXCT1)

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