Structure of PDB 6tmw Chain E Binding Site BS01

Receptor Information
>6tmw Chain E (length=545) 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
LIARSFEEAANSTLMQLNAAHPTLVEDGRPWLIPLSTPGTSELQDIAVML
NAPMLSDVADLTKLDTHSINGQHGQLELGGNRSILKSTTPKDEDRIEQHA
RGIEELLEGFSLSDKFSVRARYNERRIRTLRGKLITISVGGETYSEVKER
VDRYEDVVKAIRSALENGILPGGGVSLVKAVFGTIKEGLEDKDQSAEFAK
RYINSGIANELMRLSTIQHKLLFKDTALYKENGSFHFNDDWLNTPTVMNL
ATGEIGTPEGLGIYDTAYASITALKGGLQTAKILATTKTLILGEK
Ligand information
Ligand IDADP
InChIInChI=1S/C10H15N5O10P2/c11-8-5-9(13-2-12-8)15(3-14-5)10-7(17)6(16)4(24-10)1-23-27(21,22)25-26(18,19)20/h2-4,6-7,10,16-17H,1H2,(H,21,22)(H2,11,12,13)(H2,18,19,20)/t4-,6-,7-,10-/m1/s1
InChIKeyXTWYTFMLZFPYCI-KQYNXXCUSA-N
SMILES
SoftwareSMILES
OpenEye OEToolkits 1.5.0c1nc(c2c(n1)n(cn2)[C@H]3[C@@H]([C@@H]([C@H](O3)CO[P@](=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)[CH](O)[CH]3O
ACDLabs 10.04O=P(O)(O)OP(=O)(O)OCC3OC(n2cnc1c(ncnc12)N)C(O)C3O
CACTVS 3.341Nc1ncnc2n(cnc12)[C@@H]3O[C@H](CO[P@@](O)(=O)O[P](O)(O)=O)[C@@H](O)[C@H]3O
OpenEye OEToolkits 1.5.0c1nc(c2c(n1)n(cn2)C3C(C(C(O3)COP(=O)(O)OP(=O)(O)O)O)O)N
FormulaC10 H15 N5 O10 P2
NameADENOSINE-5'-DIPHOSPHATE
ChEMBLCHEMBL14830
DrugBankDB16833
ZINCZINC000012360703
PDB chain6tmw Chain E Residue 600 [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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PDB6tmw Structure and conformational cycle of a bacteriophage-encoded chaperonin.
Resolution5.91 Å
Binding residue
(original residue number in PDB)		P33 D86 G87 T89 T90 G429 L478 N505 I519 D521
Binding residue
(residue number reindexed from 1)		P32 D85 G86 T88 T89 G423 L472 N499 I513 D515
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:6tmw, PDBe:6tmw, PDBj:6tmw
PDBsum6tmw
PubMed32339190
UniProtQ2Z0T5

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