Structure of PDB 6tmu Chain C Binding Site BS01

Receptor Information
>6tmu Chain C (length=550) Species: 273133 (Pseudomonas phage EL) [Search protein sequence] [Download receptor structure] [Download structure with residue number starting from 1] [View receptor structure]
SQTLLVHGKDAQGIIKQVLSEVYDAVTSTMGPNGQLVMIKNGVSTKTTKD
GVTVARSIRFADEAHELVNRVITEPATKTDEECGDGTTTTIMLTHALYHL
FKDFPGFQHHRNIEDLVERVIQRLESMAIRVEVDDPRLYQVALTSSNQDE
KLARLVSELYANNKGSYPDIELKEGVNFEDQIEQTTGRTIRMFYANPWFA
KGHQGGVTELTGFTAFVIDRRIDKEDTQKLIDGVNHLVKTHKQHLALPIL
LIARSFEEAANSTLMQLNAAHPTLVEDGRPWLIPLSTPVGGAIGTSELQD
IAVMLNAPMLSDVADLTKLDTHSINGQHGQLELGGNRSILKSTTPKDEDR
IEQHARGIEELLEGFSLSDKFSVRARYNERRIRTLRGKLITISVGGETYS
EVKERVDRYEDVVKAIRSALENGILPGGGVSLVKAVFGTIKEGLEDKDQS
AEFAKRYINSGIANELMRLSTIQHKLLFKDTALYKENGSFHFNDDWLNTP
TVMNLATGEIGTPEGLGIYDTAYASITALKGGLQTAKILATTKTLILGEK
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 chain6tmu Chain C 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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PDB6tmu Structure and conformational cycle of a bacteriophage-encoded chaperonin.
Resolution3.54 Å
Binding residue
(original residue number in PDB)		M31 G32 G52 D86 G87 T89 T90 T145 G428 G429 Q474 F479 M504 N505 L506 I519 D521
Binding residue
(residue number reindexed from 1)		M30 G31 G51 D85 G86 T88 T89 T144 G427 G428 Q473 F478 M503 N504 L505 I518 D520
Annotation score4
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:6tmu, PDBe:6tmu, PDBj:6tmu
PDBsum6tmu
PubMed32339190
UniProtQ2Z0T5

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