Structure of PDB 5azi Chain A Binding Site BS01

Receptor Information
>5azi Chain A (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 ID4NP
InChIInChI=1S/C6H6NO6P/c8-7(9)5-1-3-6(4-2-5)13-14(10,11)12/h1-4H,(H2,10,11,12)
InChIKeyXZKIHKMTEMTJQX-UHFFFAOYSA-N
SMILES
SoftwareSMILES
CACTVS 3.341O[P](O)(=O)Oc1ccc(cc1)[N+]([O-])=O
ACDLabs 10.04O=P(Oc1ccc(cc1)[N+]([O-])=O)(O)O
OpenEye OEToolkits 1.5.0c1cc(ccc1[N+](=O)[O-])OP(=O)(O)O
FormulaC6 H6 N O6 P
Name4-NITROPHENYL PHOSPHATE
ChEMBLCHEMBL24231
DrugBankDB04214
ZINCZINC000001529638
PDB chain5azi Chain A Residue 601 [Download ligand structure] [Download structure with residue number starting from 1] [View ligand structure]
Receptor-Ligand Complex Structure
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PDB5azi Glycerol kinase of African trypanosomes possesses an intrinsic phosphatase activity.
Resolution2.45 Å
Binding residue
(original residue number in PDB)		T11 T12
Binding residue
(residue number reindexed from 1)		T13 T14
Annotation score1
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:5azi, PDBe:5azi, PDBj:5azi
PDBsum5azi
PubMed28778484
UniProtD3KVM3

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