Structure of PDB 8unf Chain E Binding Site BS02

Receptor Information
>8unf Chain E (length=319) Species: 10665 (Tequatrovirus T4) [Search protein sequence] [Download receptor structure] [Download structure with residue number starting from 1] [View receptor structure]
MITVNEKEHILEQKYRPSTIDECILPAFDKETFKSITSKGKIPHIILHSP
SPGTGKTTVAKALCHDVNADMMFVNGSDCKIDFVRGPLTNFASAASFDGR
QKVIVIDEFDRSGLAESQRHLRSFMEAYSSNCSIIITANNIDGIIKPLQS
RCRVITFGQPTDEDKIEMMKQMIRRLTEICKHEGIAIADMKVVAALVKKN
FPDFRKTIGELDSYSSKGVLDAGILSLVTNDRGAIDDVLESLKNKDVKQL
RALAPKYAADYSWFVGKLAEEIYSRVTPQSIIRMYEIVGENNQYHGIAAN
TELHLAYLFIQLACEMQWK
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 chain8unf Chain E Residue 401 [Download ligand structure] [Download structure with residue number starting from 1] [View ligand structure]
Receptor-Ligand Complex Structure
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PDB8unf Autoinhibition of a clamp-loader ATPase revealed by deep mutagenesis and cryo-EM
Resolution3.15 Å
Binding residue
(original residue number in PDB)		E12 R16 P17 C23 I24 G53 T54 G55 T57 T58 F204 R205
Binding residue
(residue number reindexed from 1)		E12 R16 P17 C23 I24 G53 T54 G55 T57 T58 F204 R205
Annotation score5
Enzymatic activity
Enzyme Commision number 3.6.4.-
Gene Ontology
Molecular Function
GO:0003677 DNA binding
GO:0003689 DNA clamp loader activity
GO:0005524 ATP binding
GO:0016787 hydrolase activity
GO:0016887 ATP hydrolysis activity
Biological Process
GO:0006260 DNA replication
GO:0006261 DNA-templated DNA replication
GO:0006281 DNA repair
GO:0039686 bidirectional double-stranded viral DNA replication
GO:0039693 viral DNA genome replication
Cellular Component
GO:0005663 DNA replication factor C complex

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Molecular Function
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Biological Process
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Cellular Component
External links
PDB RCSB:8unf, PDBe:8unf, PDBj:8unf
PDBsum8unf
PubMed38177685
UniProtP04526|LOADL_BPT4 Sliding-clamp-loader large subunit (Gene Name=44)

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