Structure of PDB 1ahb Chain A Binding Site BS01

Receptor Information
>1ahb Chain A (length=246) Species: 3673 (Momordica charantia) [Search protein sequence] [Download receptor structure] [Download structure with residue number starting from 1] [View receptor structure]
DVSFRLSGADPRSYGMFIKDLRNALPFREKVYNIPLLLPSVSGAGRYLLM
HLFNYDGKTITVAVDVTNVYIMGYLADTTSYFFNEPAAELASQYVFRDAR
RKITLPYSGNYERLQIAAGKPREKIPIGLPALDSAISTLLHYDSTAAAGA
LLVLIQTTAEAARFKYIEQQIQERAYRDEVPSLATISLENSWSGLSKQIQ
LAQGNNGIFRTPIVLVDNKGNRVQITNVTSKVVTSNIQLLLNTRNI
Ligand information
Ligand IDFMP
InChIInChI=1S/C10H14N5O7P/c11-10-6-4(12-2-13-10)5(14-15-6)9-8(17)7(16)3(22-9)1-21-23(18,19)20/h2-3,7-9,16-17H,1H2,(H,14,15)(H2,11,12,13)(H2,18,19,20)/t3-,7-,8-,9+/m1/s1
InChIKeyPBAHXXBYQACZMA-KSYZLYKTSA-N
SMILES
SoftwareSMILES
OpenEye OEToolkits 1.5.0c1nc2c(c(n1)N)[nH]nc2C3C(C(C(O3)COP(=O)(O)O)O)O
CACTVS 3.341Nc1ncnc2c1[nH]nc2[CH]3O[CH](CO[P](O)(O)=O)[CH](O)[CH]3O
CACTVS 3.341Nc1ncnc2c1[nH]nc2[C@@H]3O[C@H](CO[P](O)(O)=O)[C@@H](O)[C@H]3O
ACDLabs 10.04O=P(OCC3OC(c2nnc1c2ncnc1N)C(O)C3O)(O)O
OpenEye OEToolkits 1.5.0c1nc2c(c(n1)N)[nH]nc2[C@H]3[C@@H]([C@@H]([C@H](O3)COP(=O)(O)O)O)O
FormulaC10 H14 N5 O7 P
NameFORMYCIN-5'-MONOPHOSPHATE
ChEMBL
DrugBankDB03464
ZINCZINC000013507295
PDB chain1ahb Chain A Residue 339 [Download ligand structure] [Download structure with residue number starting from 1] [View ligand structure]
Receptor-Ligand Complex Structure
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PDB1ahb The N-glycosidase mechanism of ribosome-inactivating proteins implied by crystal structures of alpha-momorcharin.
Resolution2.2 Å
Binding residue
(original residue number in PDB)		Y70 I71 G109 Y111 I155 R163 E189
Binding residue
(residue number reindexed from 1)		Y70 I71 G109 Y111 I155 R163 E189
Annotation score1
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:0016787 hydrolase activity
GO:0030598 rRNA N-glycosylase activity
GO:0090729 toxin activity
Biological Process
GO:0006952 defense response
GO:0017148 negative regulation of translation
GO:0035821 modulation of process of another organism

View graph for
Molecular Function
View graph for
Biological Process
External links
PDB RCSB:1ahb, PDBe:1ahb, PDBj:1ahb
PDBsum1ahb
PubMed8075985
UniProtP16094|RIP1_MOMCH Ribosome-inactivating protein momordin I

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