Structure of PDB 1s3s Chain A Binding Site BS01

Receptor Information
>1s3s Chain A (length=436) Species: 10090 (Mus musculus) [Search protein sequence] [Download receptor structure] [Download structure with residue number starting from 1] [View receptor structure]
PNRLIVDEAINEDNSVVSLSQPKMDELQLFRGDTVLLKGKKRREAVCIVL
SDDTCSDEKIRMNRVVRNNLRVRLGDVISIQPCPDVKYGKRIHVLPIDDT
VEGITGNLFEVYLKPYFLEAYRPIRKGDIFLVRGGMRAVEFKVVETDPSP
YCIVAPDTVIHCEGEPIKREDEEESLNEVGYDDVGGCRKQLAQIKEMVEL
PLRHPALFKAIGVKPPRGILLYGPPGTGKTLIARAVANETGAFFFLINGP
EIMSKLAGESESNLRKAFEEAEKNAPAIIFIDELDAIAPKREKTHGEVER
RIVSQLLTLMDGLKQRAHVIVMAATNRPNSIDPALRRFGRFDREVDIGIP
DATGRLEILQIHTKNMKLADDVDLEQVANETHGHVGADLAALCSEAALQA
IRKKMDLIDLEDETIDAEVMNSLAVTMDDFRWALSQ
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 chain1s3s Chain A Residue 800 [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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PDB1s3s Structural basis of the interaction between the AAA ATPase p97/VCP and its adaptor protein p47.
Resolution2.9 Å
Binding residue
(original residue number in PDB)		D205 G207 G248 T249 G250 K251 T252 L253 I380 H384 G408 A409
Binding residue
(residue number reindexed from 1)		D183 G185 G226 T227 G228 K229 T230 L231 I358 H362 G386 A387
Annotation score5
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:1s3s, PDBe:1s3s, PDBj:1s3s
PDBsum1s3s
PubMed14988733
UniProtQ01853|TERA_MOUSE Transitional endoplasmic reticulum ATPase (Gene Name=Vcp)

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