Structure of PDB 3wxl Chain C Binding Site BS01

Receptor Information
>3wxl Chain C (length=513) Species: 31285 (Trypanosoma brucei gambiense) [Search protein sequence] [Download receptor structure] [Download structure with residue number starting from 1] [View receptor structure]
FTMKYVGSIDQGTTSTRFIIFDERQRPVSVHQVPHTQHTPHPGWLEHDPM
EIFRSACKCMSVAIAKLRQKDASFRKIEAIGITNQRETTVAWDRVTKEPL
CYAPVWNDLRTYDITKKVTAELGGGDSMFASKITGLPVSTYFAAFKMRWM
LENVPAVADACRRGTLCFGTIDTWLMYKLSGGKAFVTDVTNASRTFLMDL
RTRKWSPELCEKLKIPMETLPEIRSNSELFGYVETDECGVAAALNERTPI
MGSIGDQQSALFGNMCFEKGEAKNTYGTGCFLLMNVGEEARFSKHGLLST
VGFQVGRDGPCYYALEGAIACAGATVEWMRRNMNLFSHITECEKLARSVP
GTQGIVFVPAFSGLLAPYWDPSARGTIVGMTLKTTRAHVIRAALQAIALQ
LNDVVGSMKRDAGLNLSSLRVDGGLSKNGLLMEIQASLLGVDILVPSMHE
TTALGAALCAGLAAGVWTSLEEVKAVSRRENSWKTVSPSGSAMEREAMIA
EWREALKRTKWAK
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 chain3wxl Chain C Residue 601 [Download ligand structure] [Download structure with residue number starting from 1] [View ligand structure]
Receptor-Ligand Complex Structure
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PDB3wxl Molecular basis for the reverse reaction of African human trypanosomes glycerol kinase.
Resolution1.9 Å
Binding residue
(original residue number in PDB)		R84 E85 W104 Y139 F279
Binding residue
(residue number reindexed from 1)		R86 E87 W106 Y141 F281
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:3wxl, PDBe:3wxl, PDBj:3wxl
PDBsum3wxl
PubMed25315291
UniProtD3KVM3

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