Structure of PDB 8i3y Chain D Binding Site BS01

Receptor Information
>8i3y Chain D (length=471) Species: 185431 (Trypanosoma brucei brucei TREU927) [Search protein sequence] [Download receptor structure] [Download structure with residue number starting from 1] [View receptor structure]
GLDKVMSLSSAVQDIKNGATLAVGGFGTGGMPHAIMQEIKKMGVRDLIIY
SDGAGVDGYGIGVLFENKQINKMIVSYVGNNKIFARQYLEGDVELEFCPQ
GSLAERMRAGGAGIPAFYTPTAVGTVLQTGGQITKYDKNGGVLKESTPRE
TRFFGGRLYCLENAIKTDFSIVKAWKGDRCGNLVFRGTARNFNVPVGQCG
QTVIAEVENLVENGDIDPDEVHLPGVYVDRVVVPERYQTLIEHRTVTRAS
TRGEEVRQRIARRAALEFANGMYVNLGIGIPTESSNYIPAGVNVVLQSEN
GLIGMGPFPTEDKVDADWINAGKQTISHLAGSALFDSATSFAMIRGGHMD
LTMLGALEVAANGDLANFMIPGKLVKGPGGAMDLVSCGTRVVVTTTHCNK
NGDPKIVERCRLPVTGKHCVCRIITEYAVFDVVDGRLVLKEIAEDTTVDQ
VKKLTGVGFDADNVITMPLAP
Ligand information
Ligand IDCA
InChIInChI=1S/Ca/q+2
InChIKeyBHPQYMZQTOCNFJ-UHFFFAOYSA-N
SMILES
SoftwareSMILES
CACTVS 3.341[Ca++]
ACDLabs 10.04
OpenEye OEToolkits 1.5.0		[Ca+2]
FormulaCa
NameCALCIUM ION
ChEMBL
DrugBankDB14577
ZINC
PDB chain8i3y Chain D Residue 502 [Download ligand structure] [Download structure with residue number starting from 1] [View ligand structure]
Receptor-Ligand Complex Structure
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PDB8i3y Crystal structure of ASCT from Trypanosoma brucei in complex with Succinyl-CoA.
Resolution2.4 Å
Binding residue
(original residue number in PDB)		Q211 D239
Binding residue
(residue number reindexed from 1)		Q201 D229
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:0046872 metal ion binding
Biological Process
GO:0046950 cellular ketone body metabolic process
GO:0046952 ketone body catabolic process
Cellular Component
GO:0005737 cytoplasm
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:8i3y, PDBe:8i3y, PDBj:8i3y
PDBsum8i3y
PubMed
UniProtQ386P1

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