Structure of PDB 5n29 Chain A Binding Site BS01

Receptor Information
>5n29 Chain A (length=265) Species: 679716 (Trypanosoma brucei gambiense DAL972) [Search protein sequence] [Download receptor structure] [Download structure with residue number starting from 1] [View receptor structure]
TVRIAFVGKYLQDAGDTYFSVLQCFEHCQIALQVRLDILYVDSEELEGPN
ADEARKALLGCDGIFVPGGFGNRGVDGKCAAAQVARMNNIPYFGVCLGMQ
VAVIELSRNVVGWSDANSEEFNKESTHQVVRIMDCDRNKMGANMHLGACD
VYIVEKSSIMAKIYSKSNIVVERHRHRYEVNTAYFEDLRKAGLCISAVTD
PTFSSRCRVEAVENPSLRFFLAVQFHPEFISTPMDPAPTYLSFMAAAAKK
DYVWPQKCSQRRLKQ
Ligand information
Ligand IDCL
InChIInChI=1S/ClH/h1H/p-1
InChIKeyVEXZGXHMUGYJMC-UHFFFAOYSA-M
SMILES
SoftwareSMILES
ACDLabs 10.04
CACTVS 3.341
OpenEye OEToolkits 1.5.0		[Cl-]
FormulaCl
NameCHLORIDE ION
ChEMBL
DrugBankDB14547
ZINC
PDB chain5n29 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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PDB5n29 An Improved Model of the Trypanosoma brucei CTP Synthetase Glutaminase Domain-Acivicin Complex.
Resolution2.1 Å
Binding residue
(original residue number in PDB)		K485 F542
Binding residue
(residue number reindexed from 1)		K162 F219
Annotation score1
Enzymatic activity
Enzyme Commision number 6.3.4.2: CTP synthase (glutamine hydrolyzing).
Gene Ontology
Molecular Function
GO:0003883 CTP synthase activity
Biological Process
GO:0006221 pyrimidine nucleotide biosynthetic process
GO:0006241 CTP biosynthetic process

View graph for
Molecular Function
View graph for
Biological Process
External links
PDB RCSB:5n29, PDBe:5n29, PDBj:5n29
PDBsum5n29
PubMed28333400
UniProtC9ZI73

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