Structure of PDB 6hl7 Chain C Binding Site BS01

Receptor Information
>6hl7 Chain C (length=322) Species: 5833 (Plasmodium falciparum) [Search protein sequence] [Download receptor structure] [Download structure with residue number starting from 1] [View receptor structure]
MFYINSKYKIDLDKIMTKMKNKSVINIDDVDDEELLAILYTSKQFEKILK
NNEDSKYLENKVFCSVFLEPSTATRCSFDAAILKLGSKVLNITDGETVED
AFKILSTYVDGIIYRDPSKKNVDIAVSSSSKPIINAGNGTGEHPTQSLLD
FYTIHNYFPFILDRNINKKLNIAFVGDLKNGRTVHSLSKLLSRYNVSFNF
VSCKSLNIPKDIVNTITYNLKKNNFYSDDSIKYFDNLEEGLEDVHIIYMT
RINAFILSNKTLENTRDDTKILHPLPRVNEIKVEVDSNPKSVYFTQAENG
LYVRMALLYLIFSSTWSHPQFE
Ligand information
Ligand IDCP
InChIInChI=1S/CH4NO5P/c2-1(3)7-8(4,5)6/h(H2,2,3)(H2,4,5,6)
InChIKeyFFQKYPRQEYGKAF-UHFFFAOYSA-N
SMILES
SoftwareSMILES
CACTVS 3.341NC(=O)O[P](O)(O)=O
OpenEye OEToolkits 1.5.0C(=O)(N)OP(=O)(O)O
FormulaC H4 N O5 P
NamePHOSPHORIC ACID MONO(FORMAMIDE)ESTER
ChEMBLCHEMBL369105
DrugBank
ZINCZINC000008383183
PDB chain6hl7 Chain C Residue 401 [Download ligand structure] [Download structure with residue number starting from 1] [View ligand structure]
Receptor-Ligand Complex Structure
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PDB6hl7 Molecular Target Validation of Aspartate Transcarbamoylase fromPlasmodium falciparumby Torin 2.
Resolution2.5 Å
Binding residue
(original residue number in PDB)		S107 T110 R159 H187 R226 L334
Binding residue
(residue number reindexed from 1)		S71 T74 R115 H143 R182 L275
Annotation score2
Enzymatic activity
Catalytic site (original residue number in PDB) R159 H187 Q190 T294 P333 G359
Catalytic site (residue number reindexed from 1) R115 H143 Q146 T250 P274 G300
Enzyme Commision number 2.1.3.2: aspartate carbamoyltransferase.
Gene Ontology
Molecular Function
GO:0004070 aspartate carbamoyltransferase activity
GO:0016597 amino acid binding
GO:0016740 transferase activity
GO:0016743 carboxyl- or carbamoyltransferase activity
Biological Process
GO:0006207 'de novo' pyrimidine nucleobase biosynthetic process
GO:0006221 pyrimidine nucleotide biosynthetic process
GO:0006520 amino acid metabolic process
GO:0044205 'de novo' UMP biosynthetic process
Cellular Component
GO:0016020 membrane

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Molecular Function
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Biological Process
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Cellular Component
External links
PDB RCSB:6hl7, PDBe:6hl7, PDBj:6hl7
PDBsum6hl7
PubMed32129597
UniProtO15804

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