Structure of PDB 4fbc Chain D Binding Site BS01

Receptor Information
>4fbc Chain D (length=278) Species: 4513 (Hordeum vulgare) [Search protein sequence] [Download receptor structure] [Download structure with residue number starting from 1] [View receptor structure]
KMAKNVDKPLFTATFNVQASSADYATFIAGIRNKLRNPAHFSHNRPVLPP
VEPNVPPSRWFHVVLKASPTSAGLTLAIRADNIYLEGFKSSDGTWWELTP
GLIPGATYVGFGGTYRDLLGDTDKLTNVALGRQQLADAVTALHGRTKADK
PSGPKQQQAREAVTTLLLMVNEATRFQTVSGFVAGLLHPKAVAAASGKIG
NEMKAQVNGWQDLSAALLKTDVKPPPGKSPAKFAPIEKMGVRTAVQAANT
LGILLFVEVPGGLTVAKALELFHASGGK
Ligand information
Ligand IDAMP
InChIInChI=1S/C10H14N5O7P/c11-8-5-9(13-2-12-8)15(3-14-5)10-7(17)6(16)4(22-10)1-21-23(18,19)20/h2-4,6-7,10,16-17H,1H2,(H2,11,12,13)(H2,18,19,20)/t4-,6-,7-,10-/m1/s1
InChIKeyUDMBCSSLTHHNCD-KQYNXXCUSA-N
SMILES
SoftwareSMILES
CACTVS 3.370Nc1ncnc2n(cnc12)[CH]3O[CH](CO[P](O)(O)=O)[CH](O)[CH]3O
CACTVS 3.370Nc1ncnc2n(cnc12)[C@@H]3O[C@H](CO[P](O)(O)=O)[C@@H](O)[C@H]3O
OpenEye OEToolkits 1.7.6c1nc(c2c(n1)n(cn2)[C@H]3[C@@H]([C@@H]([C@H](O3)COP(=O)(O)O)O)O)N
ACDLabs 12.01O=P(O)(O)OCC3OC(n2cnc1c(ncnc12)N)C(O)C3O
OpenEye OEToolkits 1.7.6c1nc(c2c(n1)n(cn2)C3C(C(C(O3)COP(=O)(O)O)O)O)N
FormulaC10 H14 N5 O7 P
NameADENOSINE MONOPHOSPHATE
ChEMBLCHEMBL752
DrugBankDB00131
ZINCZINC000003860156
PDB chain4fbc Chain D Residue 301 [Download ligand structure] [Download structure with residue number starting from 1] [View ligand structure]
Receptor-Ligand Complex Structure
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PDB4fbc Structures of the ribosome-inactivating protein from barley seeds reveal a unique activation mechanism.
Resolution1.7 Å
Binding residue
(original residue number in PDB)		Y87 L88 G116 L170 R178
Binding residue
(residue number reindexed from 1)		Y84 L85 G113 L167 R175
Annotation score4
Enzymatic activity
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:0017148 negative regulation of translation
GO:0031640 killing of cells of another organism
GO:0035821 modulation of process of another organism
GO:0050832 defense response to fungus
Cellular Component
GO:0005737 cytoplasm

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Molecular Function
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Biological Process
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Cellular Component
External links
PDB RCSB:4fbc, PDBe:4fbc, PDBj:4fbc
PDBsum4fbc
PubMed23090398
UniProtP22244|RIP1_HORVU Protein synthesis inhibitor I (Gene Name=RIP30)

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