Structure of PDB 5vc7 Chain A Binding Site BS02

Receptor Information
>5vc7 Chain A (length=544) Species: 273075 (Thermoplasma acidophilum DSM 1728) [Search protein sequence] [Download receptor structure] [Download structure with residue number starting from 1] [View receptor structure]
EVSRISYEDIGGLSEQLGKIREMIELPLKHPELFERLGITPPKGVILYGP
PGTGKTLIARAVANESGANFLSINGPEIMSKYYGQSEQKLREIFSKAEET
APSIIFIDEIDSIAPKREEVQGEVERRVVAQLLTLMDGMKERGHVIVIGA
TNRIDAIDPALRRPGRFDREIEIGVPDRNGRKEILMIHTRNMPLGMSEEE
KNKFLEEMADYTYGFVGADLAALVRESAMNALRRYLPEIDLDKPIPTEIL
EKMVVTEDDFKNALKSIEPSSLREVMVEVPNVHWDDIGGLEDVKREIKET
VELPLLKPDVFKRLGIRPSKGFLLYGPPGVGKTLLAKAVATESNANFISI
KGPEVLSKWVGESEKAIREIFKKAKQVAPAIVFLDEIDSIAPRRGTTSDS
GVTERIVNQLLTSLDGIEVMNGVVVIGATNRPDIMDPALLRAGRFDKLIY
IPPPDKEARLSILKVHTKNMPLAPDVDLNDIAQRTEGYVGADLENLCREA
GMNAYRENPDATSVSQKNFLDALKTIRPSVDEEVIKFYRTLSET
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 chain5vc7 Chain A Residue 802 [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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PDB5vc7 Structure of a AAA+ unfoldase in the process of unfolding substrate.
Resolution3.9 Å
Binding residue
(original residue number in PDB)		D468 I469 G470 G511 V512 G513 K514 T515 L516 I644 E676
Binding residue
(residue number reindexed from 1)		D286 I287 G288 G329 V330 G331 K332 T333 L334 I462 E494
Annotation score5
Enzymatic activity
Catalytic site (original residue number in PDB) K237 T238 D290 N334 K443 K514 T515 D567 E568 D597 A673
Catalytic site (residue number reindexed from 1) K55 T56 D108 N152 K261 K332 T333 D385 E386 D415 A491
Enzyme Commision number ?
Gene Ontology
Molecular Function
GO:0005524 ATP binding
GO:0016787 hydrolase activity
GO:0016887 ATP hydrolysis activity

View graph for
Molecular Function
External links
PDB RCSB:5vc7, PDBe:5vc7, PDBj:5vc7
PDBsum5vc7
PubMed28390173
UniProtO05209|VAT_THEAC VCP-like ATPase (Gene Name=vat)

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