Structure of PDB 6g2y Chain A Binding Site BS02

Receptor Information
>6g2y Chain A (length=266) Species: 9606 (Homo sapiens) [Search protein sequence] [Download receptor structure] [Download structure with residue number starting from 1] [View receptor structure]
VVEVPQVTWEDIGGLEDVKRELQELVQYPVEHPDKFLKFGMTPSKGVLFY
GPPGCGKTLLAKAIANECQANFISIKGPELLTSEANVREIFDKARQAAPC
VLFFDELDSIAKAADRVINQILTEMDGMSTKKNVFIIGATNRPDIIDPAI
LRPGRLDQLIYIPLPDEKSRVAILKANLRKSPVAKDVDLEFLAKMTNGFS
GADLTEICQRACKLAIRESIESEIRREREPVPEIRRDHFEEAMRFARRSV
SDNDIRKYEMFAQTLQ
Ligand information
Ligand IDELQ
InChIInChI=1S/C12H14F2N2O/c1-15-4-6-16(7-5-15)12(17)9-2-3-10(13)11(14)8-9/h2-3,8H,4-7H2,1H3
InChIKeyZCPNSVBDWJVJSY-UHFFFAOYSA-N
SMILES
SoftwareSMILES
CACTVS 3.385CN1CCN(CC1)C(=O)c2ccc(F)c(F)c2
OpenEye OEToolkits 2.0.6CN1CCN(CC1)C(=O)c2ccc(c(c2)F)F
FormulaC12 H14 F2 N2 O
Name[3,4-bis(fluoranyl)phenyl]-(4-methylpiperazin-1-yl)methanone
ChEMBLCHEMBL1451914
DrugBank
ZINCZINC000019589796
PDB chain6g2y Chain A Residue 809 [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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PDB6g2y Crystal structure of the catalytic D2 domain of the AAA+ ATPase p97 reveals a putative helical split-washer-type mechanism for substrate unfolding.
Resolution2.153 Å
Binding residue
(original residue number in PDB)		R625 D627 D751 K754 Y755
Binding residue
(residue number reindexed from 1)		R142 D144 D254 K257 Y258
Annotation score1
Enzymatic activity
Enzyme Commision number 3.6.4.6: vesicle-fusing ATPase.
Gene Ontology
Molecular Function
GO:0005524 ATP binding
GO:0016887 ATP hydrolysis activity

View graph for
Molecular Function
External links
PDB RCSB:6g2y, PDBe:6g2y, PDBj:6g2y
PDBsum6g2y
PubMed31701538
UniProtP55072|TERA_HUMAN Transitional endoplasmic reticulum ATPase (Gene Name=VCP)

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