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Structure of PDB 3wxl Chain D Binding Site BS01

Receptor Information >3wxl Chain D (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 ID GOL InChI InChI=1S/C3H8O3/c4-1-3(6)2-5/h3-6H,1-2H2 InChIKey PEDCQBHIVMGVHV-UHFFFAOYSA-N SMILES Software SMILES OpenEye OEToolkits 1.7.0 C(C(CO)O)O ACDLabs 12.01 CACTVS 3.370 OCC(O)CO Formula C3 H8 O3 Name GLYCEROL; GLYCERIN; PROPANE-1,2,3-TRIOL ChEMBL CHEMBL692 DrugBank DB09462 ZINC ZINC000000895048 PDB chain 3wxl Chain D Residue 601 [Download ligand structure] [Download structure with residue number starting from 1] [View ligand structure]

Receptor-Ligand Complex Structure Global view Local view Structure summary [Spin on] [Spin off] [Reset] [High quality] [Low quality] [White background] [Black background] [Spin on] [Spin off] [Reset] [High quality] [Low quality] [White background] [Black background] PDB 3wxl Molecular basis for the reverse reaction of African human trypanosomes glycerol kinase. Resolution 1.9 Å Binding residue (original residue number in PDB) R84 E85 W104 D254 F279 Binding residue (residue number reindexed from 1) R86 E87 W106 D256 F281 Annotation score 5

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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