Structure of PDB 4ohv Chain A Binding Site BS01

Receptor Information
>4ohv Chain A (length=396) Species: 6239 (Caenorhabditis elegans) [Search protein sequence] [Download receptor structure] [Download structure with residue number starting from 1] [View receptor structure]
EENVQEFVLKEDCELRFAAGDDSDVCLELVKGYAEIFGTELLLNKKYTFP
AKSRVAAFTWKGATIELVGTTESAYVAESTPMVIYLNIHAAMEEVRKKRE
EQAKAKGPRLLLVGPTDVGKTTVSRILCNYSVRQGRTPIFVELDVGQNSV
SVPGTVAAVLVQKTADVIDGFERNQPIVFNFGHTSPSANLSLYEALFKEM
ATTLNAQIQENDEAKIGGMIINTCGWVDGEGYKCIVKAASAFEVDVVIVL
DHERLYSDLSKELPEFVRLTHVPKSGGVEQRTGQIRSKMRGENVHRYFYG
TRANNLYPFTFDVSFDDVTLCKIGKLVIMEPSADIKHHLFAFSRSTKADE
NVLKSPVFGFCLVTEVDLEKRTMSILCPQRTIPSKVLVFSDITHLD
Ligand information
Ligand IDANP
InChIInChI=1S/C10H17N6O12P3/c11-8-5-9(13-2-12-8)16(3-14-5)10-7(18)6(17)4(27-10)1-26-31(24,25)28-30(22,23)15-29(19,20)21/h2-4,6-7,10,17-18H,1H2,(H,24,25)(H2,11,12,13)(H4,15,19,20,21,22,23)/t4-,6-,7-,10-/m1/s1
InChIKeyPVKSNHVPLWYQGJ-KQYNXXCUSA-N
SMILES
SoftwareSMILES
OpenEye OEToolkits 1.7.0c1nc(c2c(n1)n(cn2)C3C(C(C(O3)COP(=O)(O)OP(=O)(NP(=O)(O)O)O)O)O)N
CACTVS 3.370Nc1ncnc2n(cnc12)[CH]3O[CH](CO[P](O)(=O)O[P](O)(=O)N[P](O)(O)=O)[CH](O)[CH]3O
CACTVS 3.370Nc1ncnc2n(cnc12)[C@@H]3O[C@H](CO[P](O)(=O)O[P](O)(=O)N[P](O)(O)=O)[C@@H](O)[C@H]3O
ACDLabs 12.01O=P(O)(O)NP(=O)(O)OP(=O)(O)OCC3OC(n2cnc1c(ncnc12)N)C(O)C3O
OpenEye OEToolkits 1.7.0c1nc(c2c(n1)n(cn2)[C@H]3[C@@H]([C@@H]([C@H](O3)CO[P@](=O)(O)O[P@@](=O)(NP(=O)(O)O)O)O)O)N
FormulaC10 H17 N6 O12 P3
NamePHOSPHOAMINOPHOSPHONIC ACID-ADENYLATE ESTER
ChEMBLCHEMBL1230989
DrugBank
ZINCZINC000008660410
PDB chain4ohv Chain A Residue 501 [Download ligand structure] [Download structure with residue number starting from 1] [View ligand structure]
Receptor-Ligand Complex Structure
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PDB4ohv RNA specificity and regulation of catalysis in the eukaryotic polynucleotide kinase clp1.
Resolution2.3 Å
Binding residue
(original residue number in PDB)		R18 A58 T123 D124 G126 K127 T128 T129 G284 R288 R293
Binding residue
(residue number reindexed from 1)		R16 A56 T116 D117 G119 K120 T121 T122 G277 R281 R286
Annotation score3
Enzymatic activity
Enzyme Commision number ?
Gene Ontology
Molecular Function
GO:0005524 ATP binding
GO:0051731 polynucleotide 5'-hydroxyl-kinase activity
GO:0051736 ATP-dependent polyribonucleotide 5'-hydroxyl-kinase activity
Biological Process
GO:0006388 tRNA splicing, via endonucleolytic cleavage and ligation
GO:0006396 RNA processing
GO:0006397 mRNA processing
GO:0031124 mRNA 3'-end processing
Cellular Component
GO:0005634 nucleus
GO:0005849 mRNA cleavage factor complex

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Molecular Function
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Biological Process
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Cellular Component
External links
PDB RCSB:4ohv, PDBe:4ohv, PDBj:4ohv
PDBsum4ohv
PubMed24813946
UniProtP52874|CLP1_CAEEL Protein clpf-1 (Gene Name=clpf-1)

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