Structure of PDB 1miw Chain B Binding Site BS01

Receptor Information
>1miw Chain B (length=395) Species: 1422 (Geobacillus stearothermophilus) [Search protein sequence] [Download receptor structure] [Download structure with residue number starting from 1] [View receptor structure]
MKPPFQEALGIIQQLKQHGYDAYFVGGAVRDLLLGRPIGDVDIATSALPE
DVMAIFPKTIDVGSKHGTVVVVHKGKAYEVTTFKTDGSVTFVRSLEEDLK
RRDFTMNAIAMDEYGTIIDPFGGREAIRRRIIRTVGEAEKRFREDALRMM
RAVRFVSELGFALAPDTEQAIVQNAPLLAHISVERMTMEMEKLLGGPFAA
RALPLLAETGLNAYLPGLAGKEKQLRLAAAYRWPWLAAREERWALLCHAL
GVQESRPFLRAWKLPNKVVDEAGAILTALADIPRPEAWTNEQLFSAGLER
ALSVETVRAAFTGAPPGPWHEKLRRRFASLPIKTKGELAVNGKDVIEWVG
KPAGPWVKEALDAIWRAVVNGEVENEKERIYAWLMERNRTREKNC
Ligand information
Ligand IDATP
InChIInChI=1S/C10H16N5O13P3/c11-8-5-9(13-2-12-8)15(3-14-5)10-7(17)6(16)4(26-10)1-25-30(21,22)28-31(23,24)27-29(18,19)20/h2-4,6-7,10,16-17H,1H2,(H,21,22)(H,23,24)(H2,11,12,13)(H2,18,19,20)/t4-,6-,7-,10-/m1/s1
InChIKeyZKHQWZAMYRWXGA-KQYNXXCUSA-N
SMILES
SoftwareSMILES
OpenEye OEToolkits 1.5.0c1nc(c2c(n1)n(cn2)C3C(C(C(O3)COP(=O)(O)OP(=O)(O)OP(=O)(O)O)O)O)N
CACTVS 3.341Nc1ncnc2n(cnc12)[CH]3O[CH](CO[P](O)(=O)O[P](O)(=O)O[P](O)(O)=O)[CH](O)[CH]3O
ACDLabs 10.04O=P(O)(O)OP(=O)(O)OP(=O)(O)OCC3OC(n2cnc1c(ncnc12)N)C(O)C3O
OpenEye OEToolkits 1.5.0c1nc(c2c(n1)n(cn2)[C@H]3[C@@H]([C@@H]([C@H](O3)CO[P@@](=O)(O)O[P@](=O)(O)OP(=O)(O)O)O)O)N
CACTVS 3.341Nc1ncnc2n(cnc12)[C@@H]3O[C@H](CO[P@](O)(=O)O[P@@](O)(=O)O[P](O)(O)=O)[C@@H](O)[C@H]3O
FormulaC10 H16 N5 O13 P3
NameADENOSINE-5'-TRIPHOSPHATE
ChEMBLCHEMBL14249
DrugBankDB00171
ZINCZINC000004261765
PDB chain1miw Chain B Residue 6501 [Download ligand structure] [Download structure with residue number starting from 1] [View ligand structure]
Receptor-Ligand Complex Structure
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PDB1miw Crystal structures of the Bacillus stearothermophilus CCA-adding enzyme and its complexes with ATP or CTP
Resolution3.0 Å
Binding residue
(original residue number in PDB)		G26 G27 R30 R111 D112 N116 R157 R160 R163
Binding residue
(residue number reindexed from 1)		G26 G27 R30 R102 D103 N107 R148 R151 R154
Annotation score5
Enzymatic activity
Enzyme Commision number 2.7.7.72: CCA tRNA nucleotidyltransferase.
Gene Ontology
Molecular Function
GO:0000049 tRNA binding
GO:0000287 magnesium ion binding
GO:0003723 RNA binding
GO:0004810 CCA tRNA nucleotidyltransferase activity
GO:0005524 ATP binding
GO:0016779 nucleotidyltransferase activity
GO:0046872 metal ion binding
Biological Process
GO:0001680 tRNA 3'-terminal CCA addition
GO:0006396 RNA processing
GO:0008033 tRNA processing
GO:0042245 RNA repair

View graph for
Molecular Function
View graph for
Biological Process
External links
PDB RCSB:1miw, PDBe:1miw, PDBj:1miw
PDBsum1miw
PubMed12526808
UniProtQ7SIB1|CCA_GEOSE CCA-adding enzyme (Gene Name=cca)

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