Structure of PDB 6yt3 Chain B Binding Site BS01

Receptor Information
>6yt3 Chain B (length=376) Species: 58097 (Salmonella enterica subsp. enterica serovar Bovismorbificans) [Search protein sequence] [Download receptor structure] [Download structure with residue number starting from 1] [View receptor structure]
DKIIHLTDDSFDTDVLKADGAILVDFWAEWCGPCKMIAPILDEIADEYQG
KLTVAKLNIDQNPGTAPKYGIRGIPTLLLFKNGEVAATKVGALSKGQLKE
FLDANLEEEKRKREEELLMQRSLTDPQLQAAAAAAADFRILPDATVIKIG
GQSVIDRGRAAVYPLVDEIVAARKNHKLLIGTGAGTRARHLYSIAAGLGL
PAGVLAQLGSSVADQNAAMLGQLLAKHGIPVVGGAGLSAVPLSLAEVNAV
VFSGMPPYKLWMRPAAEGVIPPYRTDAGCFLLAEQFGCKQMIFVKDEDGL
YTANPKTSKDATFIPRISVDEMKAKGLHDSILEFPVLDLLQSAQHVREVQ
VVNGLVPGNLTRALAGEHVGTIITAS
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 B Residue 401 [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)		K149 G152 Q153 S154 G184 A185 G186 R190 T276 K296 Y302 A304 N305 P306 D330 I332
Binding residue
(residue number reindexed from 1)		K148 G151 Q152 S153 G183 A184 G185 R189 T275 K295 Y301 A303 N304 P305 D329 I331
Annotation score4
Enzymatic activity
Enzyme Commision number ?
Gene Ontology
Molecular Function
GO:0015035 protein-disulfide reductase activity
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
UniProtP84253|MOSB_AZOVD Molybdenum storage protein subunit beta (Gene Name=mosB)

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