Structure of PDB 2nrb Chain A Binding Site BS01

Receptor Information
>2nrb Chain A (length=467) Species: 9823 (Sus scrofa) [Search protein sequence] [Download receptor structure] [Download structure with residue number starting from 1] [View receptor structure]
TKFYTDAVEAVKDIPNGATVLVGGFGLSGIPENLIGALLKTGVKELTAVS
NNAGVDNFGLGLLLQSKQIKRMISSYVGENAEFERQYLAGELEVELTPQG
TLAERIRAGGAGVPAFYTSTGYGTLVQEGGSPIKYNKDGSIAIASKPREV
REFNGQHFILEEAIRGDFALVKAWKADQAGNVTFRKSARNFNLPMCKAAE
TTVVEVEEIVDIGSFAPEDIHIPKIYVHRLVKGEKYEKRIERLSVRKNVR
ERIIKRAALEFEDGMYANLGIGIPLLASNFISPNMTVHLQSENGILGLGP
YPLQNEVDADLINAGKETVTVLPGASYFSSDESFAMIRGGHVNLTMLGAM
QVSKYGDLANWMIPGKLVKGMGGAMDLVSSAKTKVVVTMEHSAKGNAHKI
MEKCTLPLTGKQCVNRIITEKAVFDVDRKKGLTLIELWEGLTVDDIKKST
GCDFAVSPKLIPMQQVT
Ligand information
Ligand IDCL
InChIInChI=1S/ClH/h1H/p-1
InChIKeyVEXZGXHMUGYJMC-UHFFFAOYSA-M
SMILES
SoftwareSMILES
ACDLabs 10.04
CACTVS 3.341
OpenEye OEToolkits 1.5.0		[Cl-]
FormulaCl
NameCHLORIDE ION
ChEMBL
DrugBankDB14547
ZINC
PDB chain2nrb Chain A Residue 901 [Download ligand structure] [Download structure with residue number starting from 1] [View ligand structure]
Receptor-Ligand Complex Structure
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PDB2nrb Identification of the Cysteine Residue Exposed by the Conformational Change in Pig Heart Succinyl-CoA:3-Ketoacid Coenzyme A Transferase on Binding Coenzyme A.
Resolution2.0 Å
Binding residue
(original residue number in PDB)		F25 K329
Binding residue
(residue number reindexed from 1)		F25 K316
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:2nrb, PDBe:2nrb, PDBj:2nrb
PDBsum2nrb
PubMed17718512
UniProtQ29551|SCOT1_PIG Succinyl-CoA:3-ketoacid coenzyme A transferase 1, mitochondrial (Gene Name=OXCT1)

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