Structure of PDB 7zea Chain B Binding Site BS01

Receptor Information
>7zea Chain B (length=346) Species: 36329 (Plasmodium falciparum 3D7) [Search protein sequence] [Download receptor structure] [Download structure with residue number starting from 1] [View receptor structure]
FYINSKYKIDLDKIMTKMKNKSVINIDDVDDEELLAILYTSKQFEKILKN
NEDSKYLENKVFCSVFLEPSTRTRCSFDAAILKLGSKVLNITDMNSTSFY
KGETVEDAFKILSTYVDGIIYRDPSKKNVDIAVSSSSKPIINAGNGTGEH
PTQSLLDFYTIHNYFPFILDRNINKKLNIAFVGDLKNGRTVHSLSKLLSR
YNVSFNFVSCKSLNIPKDIVNTITYNLKKNNFYSDDSIKYFDNLEEGLED
VHIIYMTRIQKERFTDVDEYNQYKNAFILSNKTLENTRDDTKILHPLPRV
NEIKVEVDSNPKSVYFTQAENGLYVRMALLYLIFSSTSSAWSHPQF
Ligand information
Ligand IDOBZ
InChIInChI=1S/C7H9NO/c8-9-6-7-4-2-1-3-5-7/h1-5H,6,8H2
InChIKeyXYEOALKITRFCJJ-UHFFFAOYSA-N
SMILES
SoftwareSMILES
OpenEye OEToolkits 1.5.0c1ccc(cc1)CON
CACTVS 3.341NOCc1ccccc1
ACDLabs 10.04[(aminooxy)methyl]benzene
FormulaC7 H9 N O
NameO-benzylhydroxylamine
ChEMBLCHEMBL443652
DrugBank
ZINCZINC000000155377
PDB chain7zea Chain B Residue 401 [Download ligand structure] [Download structure with residue number starting from 1] [View ligand structure]
Receptor-Ligand Complex Structure
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PDB7zea Discovery of Small-Molecule Allosteric Inhibitors of Pf ATC as Antimalarials.
Resolution2.448 Å
Binding residue
(original residue number in PDB)		F136 E140 A145 L149
Binding residue
(residue number reindexed from 1)		F99 E103 A108 L112
Annotation score1
Enzymatic activity
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:7zea, PDBe:7zea, PDBj:7zea
PDBsum7zea
PubMed36195578
UniProtA0A5K1K910

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