Structure of PDB 2w40 Chain A Binding Site BS01

Receptor Information
>2w40 Chain A (length=501) Species: 36329 (Plasmodium falciparum 3D7) [Search protein sequence] [Download receptor structure] [Download structure with residue number starting from 1] [View receptor structure]
MNVILSIDQSTQSTKVFFYDEELNIVHSNNLNHEQKCLKPGWYEHDPIEI
MTNLYNLMNEGIKVLKDKYTSVIIKCIGITNQRETVIIWDRITGKPLYNA
IVWLDTRVEELVTEFSAKYNNNDIQKKTGTYFNTYFSAFKILWLIQNNPE
IKQKIDDGTAVIGNINTWLIFNLTKGNCYTDVTNASRTLLMDINTLQWDE
KMCKIFNITNMSVLPEIKSNCSNFGLVKSEHVPDYLNIPITGCIGDQQSA
CIGQAIFDEGEAKCTYGTGVFLLINTGEKVVYSTCGLITTICYKFNDNDK
PKYALEGSIGTAGSGVSWLLKNKLIDDPSEASDIMEKCENTTGVIFVPAF
SGLYAPRWRSDARASIYGMTFNTERSHIVRALLEGIAFQLNEIVDSLTSD
MGIEMLHVLRCDGGMTKNKPFMQFNSDIINTKIEVSKYKEVTSLGAAVLA
GLEVKIWDSLDSVKSLLRRSDAVFHSKMDDKKRKKKTSEWNKAVERTLIQ
L
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 chain2w40 Chain A Residue 1511 [Download ligand structure] [Download structure with residue number starting from 1] [View ligand structure]
Receptor-Ligand Complex Structure
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PDB2w40 Structure and Non-Essential Function of Glycerol Kinase in Plasmodium Falciparum Blood Stages.
Resolution1.49 Å
Binding residue
(original residue number in PDB)		R83 E84 W103 Y135 D246 F271
Binding residue
(residue number reindexed from 1)		R83 E84 W103 Y135 D246 F271
Annotation score5
Enzymatic activity
Enzyme Commision number 2.7.1.30: glycerol kinase.
Gene Ontology
Molecular Function
GO:0004370 glycerol kinase activity
GO:0005524 ATP binding
GO:0016301 kinase activity
GO:0016773 phosphotransferase activity, alcohol group as acceptor
Biological Process
GO:0005975 carbohydrate metabolic process
GO:0006071 glycerol metabolic process
GO:0006072 glycerol-3-phosphate metabolic process
GO:0006641 triglyceride metabolic process
GO:0016310 phosphorylation
GO:0019563 glycerol catabolic process
GO:0046167 glycerol-3-phosphate biosynthetic 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:2w40, PDBe:2w40, PDBj:2w40
PDBsum2w40
PubMed19040641
UniProtQ8IDI4

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