Structure of PDB 7zqq Chain A Binding Site BS01

Receptor Information
>7zqq Chain A (length=246) Species: 354 (Azotobacter vinelandii) [Search protein sequence] [Download receptor structure] [Download structure with residue number starting from 1] [View receptor structure]
GKRPIRLLPWLQVVKIGGRVMDRGADAILPLVEELRKLLPEHRLLILTGA
GVRARHVFSVGLDLGLPVGSLAPLAASEAGQNGHILAAMLASEGVSYVEH
PTVADQLAIHLSATRAVVGSAFPPYHHHEFPGSRIPPHRADTGAFLLADA
FGAAGLTIVENVDGIYTADPNGPDRGQARFLPETSATDLAKSEGPLPVDR
ALLDVMATARHIERVQVVNGLVPGRLTAALRGEHVGTLIRTGVRPA
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 chain7zqq 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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PDB7zqq The molybdenum storage protein forms and deposits distinct polynuclear tungsten oxygen aggregates.
Resolution1.75 Å
Binding residue
(original residue number in PDB)		K45 G47 G48 R49 A80 E190 N191 V192 Y196 D199 P200 N201 P225 L226 P227
Binding residue
(residue number reindexed from 1)		K15 G17 G18 R19 A50 E160 N161 V162 Y166 D169 P170 N171 P195 L196 P197
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:7zqq, PDBe:7zqq, PDBj:7zqq
PDBsum7zqq
PubMed35779405
UniProtP84308|MOSA_AZOVD Molybdenum storage protein subunit alpha (Gene Name=mosA)

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