Structure of PDB 8iqi Chain A Binding Site BS02

Receptor Information
>8iqi Chain A (length=915) Species: 10498 (African swine fever virus BA71V) [Search protein sequence] [Download receptor structure] [Download structure with residue number starting from 1] [View receptor structure]
HDTIQLTAQRKYLAEVQALETLLARELSVFLTEPGSKKTNIINRITGKTY
ALPSTELLRFYEHLEQCRKQGALMYFLERQGTYSGLMLDYDLKLNTNAAP
SLESSVLSRLCHRIFVHIKNSSVLPEGSHKIHFFFTLKPEAVQGKYGFHV
LIPGLKMAASTKKSIIASLQHDATVQKILHEQGVANPESCLDPHSASVPS
LLYGSSKLNHRPYQLKTGFELVFDSSDPDYIPIHQIKNIESYNLVSELSL
TNEQGSLVRPVYCAADPADDHSLSILMLHDPEARYLHKILNLLPPEYYVE
YPLWSNVVFALANTSANYRPLAEWFSQKCPEKWNTGGKEKLEKLWNDASR
HTEKKITKRSIMYWAHKHAPQQYKEIVEQGYFSILAEYVYSYNGTLEHYM
IAKVIYAMMGNKFVVDVDSNGKYVWFEFVLPGQPMNQGEIWKWRKEVNPD
ELHIYISENFSRVMDRITEHIKYHLSQPHETNILNYYKKLLKAFERSKSK
IFNDSFKKGVIRQAEFLFRQRSFIQTLDTNPYLLGVGNGVLSIETIPAKL
INHFHEHPIHQYTHICYEPFNPENPWTKLLLNALQDIIPELDARLWIMFY
LSTAIFRGLKEALMLLWLGGGCNGKTFLMRLVAMVLGDHYASKLNISLLT
SYRETAEKPNSAFMRLKGRGYGYFEETNKSEILNTSRLKEMVNPGDVTAR
ELNQKQESFQMTATMVAASNYNFIIDTTDHGTWRRLRHYRSKVKFCHNPD
PNNSYEKKEDPRFIHEYIMDPNCQNAFFSILVYFWEKLQKEYNGQIKKVF
CPTIESETEAYRKSQDTLHRFITERVVESPSAETVYNLSEVVTAYAEWYN
ANINVKRHIALELSQELENSVLEKYLQWSPNKTRILKGCRILHKFETLQP
GCEPKNKWWEWSPNP
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 chain8iqi Chain A Residue 1001 [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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PDB8iqi Structures and implications of the PrimPol protein of African swine fever virus
Resolution3.32 Å
Binding residue
(original residue number in PDB)		A600 C639 N640 G641 K642 T643 F762 D777 P778 F780
Binding residue
(residue number reindexed from 1)		A583 C622 N623 G624 K625 T626 F745 D760 P761 F763
Annotation score4
Enzymatic activity
Enzyme Commision number ?
Gene Ontology
Molecular Function
GO:0004386 helicase activity
GO:0016787 hydrolase activity
GO:0016817 hydrolase activity, acting on acid anhydrides
GO:0046872 metal ion binding
Biological Process
GO:0006260 DNA replication

View graph for
Molecular Function
View graph for
Biological Process
External links
PDB RCSB:8iqi, PDBe:8iqi, PDBj:8iqi
PDBsum8iqi
PubMed37587714
UniProtA0A0C5B022

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