Structure of PDB 6bmf Chain B Binding Site BS02

Receptor Information
>6bmf Chain B (length=285) Species: 4932 (Saccharomyces cerevisiae) [Search protein sequence] [Download receptor structure] [Download structure with residue number starting from 1] [View receptor structure]
NKKLRGALSSAILSEKPNVKWEDVAGLEGAKEALKEAVILPVKFPHLFKG
NRKPTSGILLYGPPGTGKSYLAKAVATEANSTFFSVSSSDLVSKWMGESE
KLVKQLFAMARENKPSIIFIDEVDALTGTRGEGESEASRRIKTELLVQMN
GVGNDSQGVLVLGATNIPWQLDSAIRRRFERRIYIPLPDLAARTTMFEIN
VGDTPCVLTKEDYRTLGAMTEGYSGSDIAVVVKDALMQPIRKIQSAPDLT
IKDFLKAIKSTRPTVNEDDLLKQEQFTRDFGQEGN
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 chain6bmf Chain B Residue 501 [Download ligand structure] [Download structure with residue number starting from 1] [View ligand structure]
Receptor-Ligand Complex Structure
Global viewLocal viewStructure summary

[Spin on] [Spin off] [Reset]
[High quality] [Low quality]
[White background] [Black background]
[Spin on] [Spin off] [Reset]
[High quality] [Low quality]
[White background] [Black background]
PDB6bmf The AAA ATPase Vps4 binds ESCRT-III substrates through a repeating array of dipeptide-binding pockets.
Resolution3.2 Å
Binding residue
(original residue number in PDB)		A136 G176 T177 G178 K179 S180 Y181 M307 G336 S337
Binding residue
(residue number reindexed from 1)		A25 G65 T66 G67 K68 S69 Y70 M196 G225 S226
Annotation score5
Enzymatic activity
Enzyme Commision number ?
Gene Ontology
Molecular Function
GO:0005524 ATP binding
GO:0016887 ATP hydrolysis activity

View graph for
Molecular Function
External links
PDB RCSB:6bmf, PDBe:6bmf, PDBj:6bmf
PDBsum6bmf
PubMed29165244
UniProtP52917|VPS4_YEAST Vacuolar protein sorting-associated protein 4 (Gene Name=VPS4)

[Back to BioLiP]