Structure of PDB 6tmx Chain J Binding Site BS01

Receptor Information
>6tmx Chain J (length=544) Species: 273133 (Pseudomonas phage EL) [Search protein sequence] [Download receptor structure] [Download structure with residue number starting from 1] [View receptor structure]
QTLLVHGKDAQGIIKQVLSEVYDAVTSTMGPNGQLVMIKNGVSTKTTKDG
VTVARSIRFADEAHELVNRVITEPATKTDEECGDGTTTTIMLTHALYHLF
KDFPGFQHHRNIEDLVERVIQRLESMAIRVEVDDPRLYQVALTSSNQDEK
LARLVSELYANNKGSYPDIELKEGVNFEDQIEQTTGRTIRMFYANPWFAK
GHQGGVTELTGFTAFVIDRRIDKEDTQKLIDGVNHLVKTHKQHLALPILL
IARSFEEAANSTLMQLNAAHPTLVEDGRPWLIPLSTPGTSELQDIAVMLN
APMLSDVADLTKLDTHSINGQHGQLELGGNRSILKSTTPKDEDRIEQHAR
GIEELLEGFSLSDKFSVRARYNERRIRTLRGKLITISVGGETYSEVKERV
DRYEDVVKAIRSALENGILPGGGVSLVKAVFGTIKEGLEDKDQSAEFAKR
YINSGIANELMRLSTIQHKLLFKDTALYKENGSFHFNDDWLNTPTVMNLA
TGEIGTPEGLGIYDTAYASITALKGGLQTAKILATTKTLILGEK
Ligand information
Ligand IDAGS
InChIInChI=1S/C10H16N5O12P3S/c11-8-5-9(13-2-12-8)15(3-14-5)10-7(17)6(16)4(25-10)1-24-28(18,19)26-29(20,21)27-30(22,23)31/h2-4,6-7,10,16-17H,1H2,(H,18,19)(H,20,21)(H2,11,12,13)(H2,22,23,31)/t4-,6-,7-,10-/m1/s1
InChIKeyNLTUCYMLOPLUHL-KQYNXXCUSA-N
SMILES
SoftwareSMILES
OpenEye OEToolkits 1.7.6c1nc(c2c(n1)n(cn2)C3C(C(C(O3)COP(=O)(O)OP(=O)(O)OP(=S)(O)O)O)O)N
CACTVS 3.370Nc1ncnc2n(cnc12)[C@@H]3O[C@H](CO[P](O)(=O)O[P](O)(=O)O[P](O)(O)=S)[C@@H](O)[C@H]3O
CACTVS 3.370Nc1ncnc2n(cnc12)[CH]3O[CH](CO[P](O)(=O)O[P](O)(=O)O[P](O)(O)=S)[CH](O)[CH]3O
OpenEye OEToolkits 1.7.6c1nc(c2c(n1)n(cn2)[C@H]3[C@@H]([C@@H]([C@H](O3)COP(=O)(O)OP(=O)(O)OP(=S)(O)O)O)O)N
ACDLabs 12.01O=P(O)(OP(=S)(O)O)OP(=O)(O)OCC3OC(n2cnc1c(ncnc12)N)C(O)C3O
FormulaC10 H16 N5 O12 P3 S
NamePHOSPHOTHIOPHOSPHORIC ACID-ADENYLATE ESTER;
ATP-GAMMA-S;
ADENOSINE 5'-(3-THIOTRIPHOSPHATE);
ADENOSINE 5'-(GAMMA-THIOTRIPHOSPHATE);
ADENOSINE-5'-DIPHOSPHATE MONOTHIOPHOSPHATE
ChEMBLCHEMBL131890
DrugBankDB02930
ZINCZINC000008295128
PDB chain6tmx Chain J Residue 603 [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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PDB6tmx Structure and conformational cycle of a bacteriophage-encoded chaperonin.
Resolution5.8 Å
Binding residue
(original residue number in PDB)		M31 D51 D86 G87 T88 T89 T90 G429 N505 L506 I519 D521
Binding residue
(residue number reindexed from 1)		M29 D49 D84 G85 T86 T87 T88 G422 N498 L499 I512 D514
Annotation score1
Enzymatic activity
Enzyme Commision number ?
Gene Ontology
Molecular Function
GO:0005524 ATP binding
GO:0042802 identical protein binding
GO:0046872 metal ion binding
GO:0140662 ATP-dependent protein folding chaperone
Biological Process
GO:0006457 protein folding
GO:0042026 protein refolding

View graph for
Molecular Function
View graph for
Biological Process
External links
PDB RCSB:6tmx, PDBe:6tmx, PDBj:6tmx
PDBsum6tmx
PubMed32339190
UniProtQ2Z0T5

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