Structure of PDB 6yt3 Chain A Binding Site BS01

Receptor Information
>6yt3 Chain A (length=243) Species: 322710 (Azotobacter vinelandii DJ) [Search protein sequence] [Download receptor structure] [Download structure with residue number starting from 1] [View receptor structure]
PIRLLPWLQVVKIGGRVMDRGADAILPLVEELRKLLPEHRLLILTGAGVR
ARHVFSVGLDLGLPVGSLAPLAASEAGQNGHILAAMLASEGVSYVEHPTV
ADQLAIHLSATRAVVGSAFPPYHHHEFPGSRIPPHRADTGAFLLADAFGA
AGLTIVENVDGIYTADPNGPDRGQARFLPETSATDLAKSEGPLPVDRALL
DVMATARHIERVQVVNGLVPGRLTAALRGEHVGTLIRTGVRPA
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 chain6yt3 Chain A Residue 301 [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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PDB6yt3 Chimeric single alpha-helical domains as rigid fusion protein connections for protein nanotechnology and structural biology.
Resolution2.85 Å
Binding residue
(original residue number in PDB)		K45 G47 G48 R49 A80 G81 E190 N191 V192 Y196 D199 P200 N201 P225 L226 P227
Binding residue
(residue number reindexed from 1)		K12 G14 G15 R16 A47 G48 E157 N158 V159 Y163 D166 P167 N168 P192 L193 P194
Annotation score4
Enzymatic activity
Enzyme Commision number ?
Gene Ontology
Molecular Function
GO:0030151 molybdenum ion binding
GO:0045735 nutrient reservoir activity
GO:0046872 metal ion binding
Cellular Component
GO:0005737 cytoplasm

View graph for
Molecular Function
View graph for
Cellular Component
External links
PDB RCSB:6yt3, PDBe:6yt3, PDBj:6yt3
PDBsum6yt3
PubMed34587504
UniProtP84308|MOSA_AZOVD Molybdenum storage protein subunit alpha (Gene Name=mosA)

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