Structure of PDB 1ifu Chain A Binding Site BS01

Receptor Information
>1ifu Chain A (length=258) Species: 3988 (Ricinus communis) [Search protein sequence] [Download receptor structure] [Download structure with residue number starting from 1] [View receptor structure]
YPIINFTTAGATVQSYTNFIRAVRGRLTTGADVRHEIPVLPNRVGLPINQ
RFILVELSNHAELSVTLALDVTNAYVVGYRAGNSAYFFHPDNQEDAEAIT
HLFTDVQNRYTFAFGGNYDRLEQLAGNLRENIELGNGPLEEAISALYYYS
TGGTQLPTLARSFIICIQMISEAARFQYIEGEMRTRIRYNRRSAPDPSVI
TLENSWGRLSTAIQESNQGAFASPIQLQRRNGSKFSVYDVSILIPIIALM
VYRCAPPP
Ligand information
Ligand IDFMC
InChIInChI=1S/C10H13N5O4/c11-10-6-4(12-2-13-10)5(14-15-6)9-8(18)7(17)3(1-16)19-9/h2-3,7-9,16-18H,1H2,(H,14,15)(H2,11,12,13)/t3-,7-,8-,9+/m1/s1
InChIKeyKBHMEHLJSZMEMI-KSYZLYKTSA-N
SMILES
SoftwareSMILES
CACTVS 3.370Nc1ncnc2c1[nH]nc2[C@@H]3O[C@H](CO)[C@@H](O)[C@H]3O
CACTVS 3.370Nc1ncnc2c1[nH]nc2[CH]3O[CH](CO)[CH](O)[CH]3O
ACDLabs 12.01OC1C(OC(CO)C1O)c3nnc2c3ncnc2N
OpenEye OEToolkits 1.7.0c1nc2c(c(n1)N)[nH]nc2C3C(C(C(O3)CO)O)O
OpenEye OEToolkits 1.7.0c1nc2c(c(n1)N)[nH]nc2[C@H]3[C@@H]([C@@H]([C@H](O3)CO)O)O
FormulaC10 H13 N5 O4
Name(1S)-1-(7-amino-1H-pyrazolo[4,3-d]pyrimidin-3-yl)-1,4-anhydro-D-ribitol
ChEMBLCHEMBL471524
DrugBankDB02281
ZINCZINC000018275505
PDB chain1ifu Chain A Residue 264 [Download ligand structure] [Download structure with residue number starting from 1] [View ligand structure]
Receptor-Ligand Complex Structure
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PDB1ifu X-ray structure of recombinant ricin A-chain at 1.8 A resolution.
Resolution2.4 Å
Binding residue
(original residue number in PDB)		Y80 V81 G121 N122 Y123 I172 R180
Binding residue
(residue number reindexed from 1)		Y75 V76 G116 N117 Y118 I167 R175
Annotation score1
Enzymatic activity
Catalytic site (original residue number in PDB) V81 E177 R180
Catalytic site (residue number reindexed from 1) V76 E172 R175
Enzyme Commision number 3.2.2.22: rRNA N-glycosylase.
Gene Ontology
Molecular Function
GO:0030598 rRNA N-glycosylase activity
Biological Process
GO:0017148 negative regulation of translation

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Molecular Function
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Biological Process
External links
PDB RCSB:1ifu, PDBe:1ifu, PDBj:1ifu
PDBsum1ifu
PubMed7990130
UniProtP02879|RICI_RICCO Ricin

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