Structure of PDB 8unj Chain E Binding Site BS01

Receptor Information
>8unj Chain E (length=348) Species: 9606 (Homo sapiens) [Search protein sequence] [Download receptor structure] [Download structure with residue number starting from 1] [View receptor structure]
SLWVDKYRPCSLGRLDYHKEQAAQLRNLVQCGDFPHLLVYGPSGAGKKTR
IMCILRELYGVGVEKLRIEHQTITTPSKKKIEISTIASNYHLEVNPSDAG
NSDRVVIQEMLKTVAQSQQLETNSQRDFKVVLLTEVDKLTKDAQHALRRT
MEKYMSTCRLILCCNSTSKVIPPIRSRCLAVRVPAPSIEDICHVLSTVCK
KEGLNLPSQLAHRLAEKSCRNLRKALLMCEACRVQQYPFTADQEIPETDW
EVYLRETANAIVSQQTPQRLLEVRGRLYELLTHCIPPEIIMKGLLSELLH
NCDGQLKGEVAQMAAYYEHRLQLGSKAIYHLEAFVAKFMALYKKFMED
Ligand information
Ligand IDADP
InChIInChI=1S/C10H15N5O10P2/c11-8-5-9(13-2-12-8)15(3-14-5)10-7(17)6(16)4(24-10)1-23-27(21,22)25-26(18,19)20/h2-4,6-7,10,16-17H,1H2,(H,21,22)(H2,11,12,13)(H2,18,19,20)/t4-,6-,7-,10-/m1/s1
InChIKeyXTWYTFMLZFPYCI-KQYNXXCUSA-N
SMILES
SoftwareSMILES
OpenEye OEToolkits 1.5.0c1nc(c2c(n1)n(cn2)[C@H]3[C@@H]([C@@H]([C@H](O3)CO[P@](=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)[CH](O)[CH]3O
ACDLabs 10.04O=P(O)(O)OP(=O)(O)OCC3OC(n2cnc1c(ncnc12)N)C(O)C3O
CACTVS 3.341Nc1ncnc2n(cnc12)[C@@H]3O[C@H](CO[P@@](O)(=O)O[P](O)(O)=O)[C@@H](O)[C@H]3O
OpenEye OEToolkits 1.5.0c1nc(c2c(n1)n(cn2)C3C(C(C(O3)COP(=O)(O)OP(=O)(O)O)O)O)N
FormulaC10 H15 N5 O10 P2
NameADENOSINE-5'-DIPHOSPHATE
ChEMBLCHEMBL14830
DrugBankDB16833
ZINCZINC000012360703
PDB chain8unj Chain E Residue 2000 [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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PDB8unj Cryo-EM reveals a nearly complete PCNA loading process and unique features of the human alternative clamp loader CTF18-RFC.
Resolution3.35 Å
Binding residue
(original residue number in PDB)		V5 R9 P10 L16 D17 Y18 G45 G47 K48 K49 T50 L223 R224
Binding residue
(residue number reindexed from 1)		V4 R8 P9 L15 D16 Y17 G44 G46 K47 K48 T49 L222 R223
Annotation score5
Enzymatic activity
Enzyme Commision number ?
Gene Ontology
Molecular Function
GO:0003677 DNA binding
GO:0003689 DNA clamp loader activity
GO:0005515 protein binding
GO:0008094 ATP-dependent activity, acting on DNA
GO:0016887 ATP hydrolysis activity
GO:0017116 single-stranded DNA helicase activity
Biological Process
GO:0000731 DNA synthesis involved in DNA repair
GO:0006260 DNA replication
GO:0006261 DNA-templated DNA replication
GO:0006271 DNA strand elongation involved in DNA replication
GO:0006281 DNA repair
GO:0032508 DNA duplex unwinding
GO:0046683 response to organophosphorus
GO:1900264 positive regulation of DNA-directed DNA polymerase activity
Cellular Component
GO:0005634 nucleus
GO:0005654 nucleoplasm
GO:0005663 DNA replication factor C complex
GO:0031390 Ctf18 RFC-like complex

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Molecular Function
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Biological Process
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Cellular Component
External links
PDB RCSB:8unj, PDBe:8unj, PDBj:8unj
PDBsum8unj
PubMed38669181
UniProtP40938|RFC3_HUMAN Replication factor C subunit 3 (Gene Name=RFC3)

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