Structure of PDB 4m30 Chain B Binding Site BS05

Receptor Information
>4m30 Chain B (length=218) Species: 224324 (Aquifex aeolicus VF5) [Search protein sequence] [Download receptor structure] [Download structure with residue number starting from 1] [View receptor structure]
MLEQLEKKLGYTFKDKSLLEKALTHVSYSKKEHYETLEFLGDALVNFFIV
DLLVQYSPNKREGFLSPLKAYLISEEFFNLLAQKLELHKFIRIKRGKINE
TIIGDVFEALWAAVYIDSGRDANFTRELFYKLFKEDILSAIKEGRVKKDY
KTILQEITQKRWKERPEYRLISVEGPHHKKKFIVEAKIKEYRTLGEGKSK
KEAEQRAAEELIKLLEES
Ligand information
Ligand IDA
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 3.341Nc1ncnc2n(cnc12)[CH]3O[CH](CO[P](O)(O)=O)[CH](O)[CH]3O
CACTVS 3.341Nc1ncnc2n(cnc12)[C@@H]3O[C@H](CO[P](O)(O)=O)[C@@H](O)[C@H]3O
OpenEye OEToolkits 1.5.0c1nc(c2c(n1)n(cn2)[C@H]3[C@@H]([C@@H]([C@H](O3)COP(=O)(O)O)O)O)N
ACDLabs 10.04O=P(O)(O)OCC3OC(n2cnc1c(ncnc12)N)C(O)C3O
OpenEye OEToolkits 1.5.0c1nc(c2c(n1)n(cn2)C3C(C(C(O3)COP(=O)(O)O)O)O)N
FormulaC10 H14 N5 O7 P
NameADENOSINE-5'-MONOPHOSPHATE
ChEMBLCHEMBL752
DrugBankDB00131
ZINCZINC000003860156
PDB chain4m30 Chain C Residue 103 [Download ligand structure] [Download structure with residue number starting from 1] [View ligand structure]
Receptor-Ligand Complex Structure
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PDB4m30 RNase III: Genetics and Function; Structure and Mechanism.
Resolution2.501 Å
Binding residue
(original residue number in PDB)		S68 K71
Binding residue
(residue number reindexed from 1)		S66 K69
Annotation score4
Enzymatic activity
Enzyme Commision number 3.1.26.3: ribonuclease III.
Gene Ontology
Molecular Function
GO:0003723 RNA binding
GO:0003725 double-stranded RNA binding
GO:0004519 endonuclease activity
GO:0004525 ribonuclease III activity
GO:0042802 identical protein binding
GO:0046872 metal ion binding
Biological Process
GO:0006364 rRNA processing
GO:0006396 RNA processing
GO:0006397 mRNA processing
GO:0008033 tRNA processing
GO:0010468 regulation of gene expression
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:4m30, PDBe:4m30, PDBj:4m30
PDBsum4m30
PubMed24274754
UniProtO67082|RNC_AQUAE Ribonuclease 3 (Gene Name=rnc)

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