Structure of PDB 8xku Chain B Binding Site BS03

Receptor Information
>8xku Chain B (length=845) Species: 3702 (Arabidopsis thaliana) [Search protein sequence] [Download receptor structure] [Download structure with residue number starting from 1] [View receptor structure]
HHELTRFKNETVPSFIDWNKWEHWKDIRNWDGKRVAALFIYAFALLLSCQ
RVYVAIQAPRVERERRELTESPSPGNIEKFKRNMWRKATPKGLKLKRFIE
APDGTLVHDSSYVGENAWDDDLKKIIGRNARIQTEAKKKLSQDLGVWRER
LATWKEMLEREKLSEQLNSSAAKYVVEFDMKEVEKSLREDVIGRTSETEG
TRALWISKRWWRYRPKLPYTYFLQKLDSSEVAAVVFTEDLKRLYVTMKEG
FPLEYIVDIPLDPYLFETICNAGVEVDLLQKRQIHYFMKVFIALLPGILI
LWFIRESAMLLLITSKRFLYKKYNQLFDMAYAENFIYKEVVLGGDVWDLL
DELMIYMGNPMQYYEKDVAFVRGVLLSGPPGTGKTLFARTLAKESGLPFV
FASGAEFTDSEKSGAAKINEMFSIARRNAPAFVFVDEIDAIAGRHARKDP
RRRATFEALIAQLDGEKEKTGIDRFSLRQAVIFICATNRPDELDLEFVRS
GRIDRRLYIGLPDAKQRVQIFGVHSAGKNLAEDIDFGKLVFRTVGFSGAD
IRNLVNEAAIMSVRKGRSYIYQQDIVDVLDKQLLEGMGVLLTEEEQQKCE
QSVSYEKKRLLAVHEAGHIVLAHLFPRFDWHAFSQLLPGGKETAVSVFYP
REDMVDQGYTTFGYMKMQMVVAHGGRCAERVVFGDNVTDGGKDDLEKITK
IAREMVISPQSARLGLTQLVKKIGMGELIKYRWDHPHVMPAEMSVEVSEL
FTRELTRYIEETEELAMNALRANRHILDLITRELLEKSRITGLEVEEKMK
DLSPLMFEDFVKPFQINPDDEELLPHKDRVSYQPVDLRAAPLHRS
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 chain8xku Chain B Residue 1103 [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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PDB8xku Structural insights into the chloroplast protein import in land plants.
Resolution3.2 Å
Binding residue
(original residue number in PDB)		Y492 V496 P535 G536 T537 G538 K539 N643
Binding residue
(residue number reindexed from 1)		Y337 V341 P380 G381 T382 G383 K384 N488
Annotation score4
External links
PDB RCSB:8xku, PDBe:8xku, PDBj:8xku
PDBsum8xku
PubMed39197452
UniProtQ9SAJ3|FTSHC_ARATH ATP-dependent zinc metalloprotease FTSH 12, chloroplastic (Gene Name=FTSH12)

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