Structure of PDB 6a8a Chain A Binding Site BS01

Receptor Information
>6a8a Chain A (length=327) Species: 981087 (Leishmania donovani BPK282A1) [Search protein sequence] [Download receptor structure] [Download structure with residue number starting from 1] [View receptor structure]
RARNVRSHTGEYAPDILVVGSCFLDYVGYVDHMPQVGETMHSVSFHKGFG
GKGANQAVAAGRLGAKVAMVSMVGTDGDGSDYIKELERNGVDTAYMFRTG
KSSTGLAMILVDTKSSNNEIVICPNATNHFTPELLRAQTNNYERILHTGL
KYLICQNEIPLPTTLDTIKEAHSRGVYTVFNSAPAPKPAEVEQIKPFLPY
VSLFCPNEVEATLITGVKVTDTESAFSAIKALQQLGVRDVVITLGAAGFV
LSENGAEPVHVTGKHVKAVDTTGAGDCFVGSMVYFMSRGRNLLEACKRAN
ECAAISVTRKGTQLSYPHPSELPAGVM
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 chain6a8a Chain A Residue 401 [Download ligand structure] [Download structure with residue number starting from 1] [View ligand structure]
Receptor-Ligand Complex Structure
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PDB6a8a Unraveling structural insights of ribokinase from Leishmania donovani.
Resolution1.8 Å
Binding residue
(original residue number in PDB)		D27 G52 G53 N57
Binding residue
(residue number reindexed from 1)		D25 G50 G51 N55
Annotation score1
Enzymatic activity
Enzyme Commision number 2.7.1.15: ribokinase.
Gene Ontology
Molecular Function
GO:0004747 ribokinase activity
GO:0005524 ATP binding
GO:0016301 kinase activity
GO:0046872 metal ion binding
Biological Process
GO:0006014 D-ribose metabolic process
GO:0016310 phosphorylation
GO:0019303 D-ribose catabolic process
GO:0046835 carbohydrate phosphorylation
Cellular Component
GO:0005634 nucleus
GO:0005737 cytoplasm

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Molecular Function
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Biological Process
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Cellular Component
External links
PDB RCSB:6a8a, PDBe:6a8a, PDBj:6a8a
PDBsum6a8a
PubMed31170491
UniProtA0A3S7X0F5

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