Structure of PDB 7jk2 Chain D Binding Site BS01

Receptor Information
>7jk2 Chain D (length=441) Species: 7227 (Drosophila melanogaster) [Search protein sequence] [Download receptor structure] [Download structure with residue number starting from 1] [View receptor structure]
PEADRELVSIRRFLKERLQRDYTTLRGYAKERSNVRLLLQRTAEMGESNS
LLLLGPRGSGKTTLINSVLADLLPNKSFGENTLIVHLDGNLHTDDRVALK
SITVQMQLENAADGKVFGSFAENLAFLLQCLKAGGKHSKSVIFILEEFDL
FCAHHNQTLLYNLFDVSQSAQAPICVLGVTCRLDVIELLEKRVKSRFSHR
QVFLFPSLRRFEDYVDLCRDLLSLPTGNSLLLAAEKIYNLQNIYFSRNHF
DPGEYGFSPRLRDAWNKQICKVLATQQARSTLQALHDFDISEAYLKNFLF
RLVAHLRPQSPHITAEKMAAVGSQFEGDDKIELLCGLSVLELCLIIAIKH
HSQIYDRDSFNFEIIYARFSKFAKVSTTMQAVERSIVLKAFEHLRIAELI
MPLTVQKEFEMHKLALTYSQIHHCMQRYQALPTEVAQWAQS
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 chain7jk2 Chain D Residue 901 [Download ligand structure] [Download structure with residue number starting from 1] [View ligand structure]
Receptor-Ligand Complex Structure
Global viewLocal viewStructure summary

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PDB7jk2 Structural mechanism for replication origin binding and remodeling by a metazoan origin recognition complex and its co-loader Cdc6.
Resolution3.2 Å
Binding residue
(original residue number in PDB)		L26 R27 R58 S60 G61 K62 T63 T64 E298 K302
Binding residue
(residue number reindexed from 1)		L25 R26 R57 S59 G60 K61 T62 T63 E292 K296
Annotation score5
Enzymatic activity
Enzyme Commision number ?
Gene Ontology
Molecular Function
GO:0003677 DNA binding
GO:0003688 DNA replication origin binding
GO:0005515 protein binding
GO:0016887 ATP hydrolysis activity
GO:0043021 ribonucleoprotein complex binding
Biological Process
GO:0006260 DNA replication
GO:0006270 DNA replication initiation
Cellular Component
GO:0000808 origin recognition complex
GO:0005634 nucleus
GO:0005643 nuclear pore
GO:0005664 nuclear origin of replication recognition complex

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Molecular Function
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Biological Process
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Cellular Component
External links
PDB RCSB:7jk2, PDBe:7jk2, PDBj:7jk2
PDBsum7jk2
PubMed32848132
UniProtQ9W102

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