Structure of PDB 4zt8 Chain A Binding Site BS01

Receptor Information
>4zt8 Chain A (length=246) Species: 3672 (Momordica balsamina) [Search protein sequence] [Download receptor structure] [Download structure with residue number starting from 1] [View receptor structure]
DVSFRLSGADPSSYGMFIKDLRNALPHTEKVYNIPLLLPSVSGAGRYLLM
HLFNYDGNTITVAVDVTNVYIMGYLALTTSYFFNEPAADLASQYVFRSAR
RKITLPYSGNYERLQIAAGKPREKIPIGLPALDTAISTLLHYDSTAAAGA
LLVLIQTTAEAARFKYIEQQIQERAYRDEVPSSATISLENSWSGLSKQIQ
LAQGNNGVFRTPTVLVDSKGNRVQITNVTSNVVTSNIQLLLNTKNI
Ligand information
Ligand IDCYT
InChIInChI=1S/C4H5N3O/c5-3-1-2-6-4(8)7-3/h1-2H,(H3,5,6,7,8)
InChIKeyOPTASPLRGRRNAP-UHFFFAOYSA-N
SMILES
SoftwareSMILES
ACDLabs 10.04O=C1N=CC=C(N)N1
OpenEye OEToolkits 1.5.0C1=C(NC(=O)N=C1)N
CACTVS 3.341NC1=CC=NC(=O)N1
FormulaC4 H5 N3 O
Name6-AMINOPYRIMIDIN-2(1H)-ONE;
CYTOSINE
ChEMBLCHEMBL15913
DrugBank
ZINCZINC000000895210
PDB chain4zt8 Chain A Residue 304 [Download ligand structure] [Download structure with residue number starting from 1] [View ligand structure]
Receptor-Ligand Complex Structure
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PDB4zt8 Binding and structural studies of the complexes of type 1 ribosome inactivating protein fromMomordica balsaminawith cytosine, cytidine, and cytidine diphosphate.
Resolution1.98 Å
Binding residue
(original residue number in PDB)		Y70 G109 I155 R163
Binding residue
(residue number reindexed from 1)		Y70 G109 I155 R163
Annotation score4
Binding affinityPDBbind-CN: -logKd/Ki=4.39,Kd=41uM
Enzymatic activity
Catalytic site (original residue number in PDB) I71 E160 R163
Catalytic site (residue number reindexed from 1) I71 E160 R163
Enzyme Commision number 3.2.2.22: rRNA N-glycosylase.
Gene Ontology
Molecular Function
GO:0000166 nucleotide binding
GO:0016787 hydrolase activity
GO:0030598 rRNA N-glycosylase activity
GO:0090729 toxin activity
Biological Process
GO:0017148 negative regulation of translation
GO:0035821 modulation of process of another organism

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Molecular Function
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Biological Process
External links
PDB RCSB:4zt8, PDBe:4zt8, PDBj:4zt8
PDBsum4zt8
PubMed29124196
UniProtD9J2T9

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