Structure of PDB 4yds Chain A Binding Site BS01

Receptor Information
>4yds Chain A (length=226) Species: 330779 (Sulfolobus acidocaldarius DSM 639) [Search protein sequence] [Download receptor structure] [Download structure with residue number starting from 1] [View receptor structure]
MIISTGNDDLDRRLGGIPYPASIMIEGDHGTGKSVLSAQFVLGFLLSDKK
GYVITTEQTTKDYLIKMKEIKIDLIPYFIRGKLRIAPLNTKKFNWNSSLA
EKILDVIVNFIRSKNIDFIVIDSLSILAAFSKEKQLLQFMKDIRVLVNTG
KMILFTIHPDTFDEEMKSKITSIVDVYLKLSAATIGGRRVKILERVKTTG
GISGSDTISFDVDPALGIKVVPLSLS
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 chain4yds Chain A Residue 901 [Download ligand structure] [Download structure with residue number starting from 1] [View ligand structure]
Receptor-Ligand Complex Structure
Global viewLocal viewStructure summary

[Spin on] [Spin off] [Reset]
[High quality] [Low quality]
[White background] [Black background]
[Spin on] [Spin off] [Reset]
[High quality] [Low quality]
[White background] [Black background]
PDB4yds The nucleotide-dependent interaction of FlaH and FlaI is essential for assembly and function of the archaellum motor.
Resolution2.3 Å
Binding residue
(original residue number in PDB)		H29 G30 G32 K33 S34 V35 I70 K191 V212 P214
Binding residue
(residue number reindexed from 1)		H29 G30 G32 K33 S34 V35 I70 K191 V212 P214
Annotation score4
Enzymatic activity
Enzyme Commision number 3.6.1.3: Deleted entry.
Gene Ontology
Molecular Function
GO:0005524 ATP binding
GO:0046872 metal ion binding
Cellular Component
GO:0005737 cytoplasm
GO:0097589 archaeal-type flagellum

View graph for
Molecular Function
View graph for
Cellular Component
External links
PDB RCSB:4yds, PDBe:4yds, PDBj:4yds
PDBsum4yds
PubMed26508112
UniProtQ4J9K9|FLAH_SULAC Archaeal flagellar ATP-binding protein FlaH (Gene Name=flaH)

[Back to BioLiP]