Structure of PDB 1o9l Chain A Binding Site BS01

Receptor Information
>1o9l Chain A (length=468) 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
TTVVEVEEIVDIGSFAPEDIHIPKIYVHRLVKGEKYEKRIERLSVRKNVR
ERIIKRAALEFEDGMYANLGIGIPLLASNFISPNMTVHLQSENGILGLGP
YPLQNEVDADLINAGKETVTVLPGASYFSSDESFAMIRGGHVNLTMLGAM
QVSKYGDLANWMIPGKLVKGMGGAMDLVSSAKTKVVVTMEHSAKGNAHKI
MEKCTLPLTGKQCVNRIITEKAVFDVDRKKGLTLIELWEGLTVDDIKKST
GCDFAVSPKLIPMQQVTT
Ligand information
Ligand IDEMT
InChIInChI=1S/C7H6O2S.C2H5.Hg/c8-7(9)5-3-1-2-4-6(5)10;1-2;/h1-4,10H,(H,8,9);1H2,2H3;/q;;+1/p-1
InChIKeyHXQVQGWHFRNKMS-UHFFFAOYSA-M
SMILES
SoftwareSMILES
ACDLabs 10.04O=C(O)c1ccccc1S[Hg]CC
CACTVS 3.341CC[Hg]Sc1ccccc1C(O)=O
OpenEye OEToolkits 1.5.0CC[Hg]Sc1ccccc1C(=O)O
FormulaC9 H10 Hg O2 S
Name2-(ETHYLMERCURI-THIO)-BENZOIC ACID
ChEMBL
DrugBankDB02731
ZINC
PDB chain1o9l Chain A Residue 9007 [Download ligand structure] [Download structure with residue number starting from 1] [View ligand structure]
Receptor-Ligand Complex Structure
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PDB1o9l Succinate:Coenzyme-A Transferase Deficiency: A Structural View of Pathogenic Mutations
Resolution2.4 Å
Binding residue
(original residue number in PDB)		Y126 V133 E134 L135 S170 P171 S184
Binding residue
(residue number reindexed from 1)		Y87 V94 E95 L96 S131 P132 S145
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:1o9l, PDBe:1o9l, PDBj:1o9l
PDBsum1o9l
PubMed
UniProtQ29551|SCOT1_PIG Succinyl-CoA:3-ketoacid coenzyme A transferase 1, mitochondrial (Gene Name=OXCT1)

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