Structure of PDB 6lp1 Chain D Binding Site BS01

Receptor Information
>6lp1 Chain D (length=466) Species: 5691 (Trypanosoma brucei) [Search protein sequence] [Download receptor structure] [Download structure with residue number starting from 1] [View receptor structure]
GLDKVMSLSSAVQDIKNGATLAVGGFGTGGMPHAIMQEIKKMGVRDLIIY
SDGAGVDGYGIGVLFENKQINKMIVSYVGNNKIFARQYLEGDVELEFCPQ
GSLAERMRAGGAGIPAFYTPTAVGTVLQTGGQITKYDKNGGVLKESTPRE
TRFFGGRLYCLENAIKTDFSIVKAWKGDRCGNLVFRGTARNFNVPVGQCG
QTVIAEVENLVENGDIDPDEVHLPGVYVDRVVVPERYQTLIEHRTVTGEE
VRQRIARRAALEFANGMYVNLGIGIPTESSNYIPAGVNVVLQSENGLIGM
GPFPTEDKVDADWINAGKQTISHLAGSALFDSATSFAMIRGGHMDLTMLG
ALEVAANGDLANFMIPGKLVKGPGGAMDLVSCGTRVVVTTTHCNKNGDPK
IVERCRLPVTGKHCVCRIITEYAVFDVVDGRLVLKEIAEDTTVDQVKKLT
GVGFDADNVITMPLAP
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 chain6lp1 Chain D Residue 501 [Download ligand structure] [Download structure with residue number starting from 1] [View ligand structure]
Receptor-Ligand Complex Structure
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PDB6lp1 The ASCT/SCS cycle fuels mitochondrial ATP and acetate production in Trypanosoma brucei.
Resolution2.01 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:6lp1, PDBe:6lp1, PDBj:6lp1
PDBsum6lp1
PubMed32763239
UniProtQ386P1

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