Structure of PDB 7khr Chain a Binding Site BS02

Receptor Information
>7khr Chain a (length=750) Species: 9913 (Bos taurus) [Search protein sequence] [Download receptor structure] [Download structure with residue number starting from 1] [View receptor structure]
LFRSEEMTLAQLFLQSEAAYCCVSELGELGKVQFRDLNPDVNVFQRKFVN
EVRRCEEMDRKLRFVEKEIRKANIPIMDTGENPEVPFPRDMIDLEANFEK
IENELKEINTNQEALKRNFLELTELKFILRKTQQFFDRLGFVAGVINRER
IPTFERMLWRVCRGNVFLRQAEIENPLEDPVTGDYVHKSVFIIFFQGDQL
KNRVKKICEGFRASLYPCPETPQERKEMASGVNTRIDDLQMVLNQTEDHR
QRVLQAAAKNIRVWFIKVRKMKAIYHTLNLCNIDVTQKCLIAEVWCPVTD
LDSIQFALRRGTEHSGSTVPSILNRMQTNQTPPTYNKTNKFTYGFQNIVD
AYGIGTYREINPAPYTIITFPFLFAVMFGDLGHGILMTLFAVWMVLRESR
ILSQKNENEMFSTIFSGRYIILLMGVFSIYTGLIYNDCFSKSLNIFGSSW
SVRPMFDIYNWTEETLRGNPVLQLNPAVTGVFGGPYPFGIDPIWNIATNK
LTFLNSFKMKMSVILGIIHMLFGVSLSLFNHTYFKKPLNIYFGFIPEIIF
MTSLFGYLVILIFYKWTAYNAKTSEKAPSLLIHFINMFLFSYGDSGNSML
YSGQKGIQCFLVVVALLCVPWMLLFKPLVFGDTMVHQAIHTIEYCLGCIS
NTASYLRLWALSLAHAQLSEVLWTMVIHIGLKVKSLAGGLALFFIFAAFA
TLTVAILLIMEGLSAFLHALRLHWVEFQNKFYSGTGFKFLPFSFEHIREG
Ligand information
Ligand IDWJP
InChIInChI=1S/C26H48O7P2/c1-22(2)12-8-13-23(3)14-9-15-24(4)16-10-17-25(5)18-11-19-26(6)20-21-32-35(29,30)33-34(27,28)31-7/h12,14,16,18,26H,8-11,13,15,17,19-21H2,1-7H3,(H,27,28)(H,29,30)/b23-14+,24-16+,25-18-/t26-/m1/s1
InChIKeyGDOCHZBDTMOKKR-FEJNUDJDSA-N
SMILES
SoftwareSMILES
OpenEye OEToolkits 2.0.7C[C@H](CC/C=C(/C)\CC/C=C(\C)/CC/C=C(\C)/CCC=C(C)C)CCOP(=O)(O)OP(=O)(O)OC
CACTVS 3.385CO[P](O)(=O)O[P](O)(=O)OCC[CH](C)CCC=C(C)CCC=C(C)CCC=C(C)CCC=C(C)C
ACDLabs 12.01CC(CC[C@H]=C(CC\C=C(/C)CC\C=C(\CC[C@H]=C(C)C)C)C)CCOP(=O)(O)OP(OC)(=O)O
OpenEye OEToolkits 2.0.7CC(CCC=C(C)CCC=C(C)CCC=C(C)CCC=C(C)C)CCOP(=O)(O)OP(=O)(O)OC
CACTVS 3.385CO[P](O)(=O)O[P](O)(=O)OCC[C@H](C)CC/C=C(/C)CC\C=C(/C)CC\C=C(/C)CCC=C(C)C
FormulaC26 H48 O7 P2
Namemethyl (3R,6Z,10E,14E)-3,7,11,15,19-pentamethylicosa-6,10,14,18-tetraen-1-yl dihydrogen diphosphate;
dolichol-pp
ChEMBL
DrugBank
ZINC
PDB chain7khr Chain a Residue 901 [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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PDB7khr Molecular basis of V-ATPase inhibition by bafilomycin A1.
Resolution3.62 Å
Binding residue
(original residue number in PDB)		S535 K539 I591 K594 S608 L609 L610 I614
Binding residue
(residue number reindexed from 1)		S506 K510 I562 K565 S579 L580 L581 I585
Annotation score1
Enzymatic activity
Enzyme Commision number ?
Gene Ontology
Molecular Function
GO:0046961 proton-transporting ATPase activity, rotational mechanism
GO:0051117 ATPase binding
Biological Process
GO:0007035 vacuolar acidification
GO:0045851 pH reduction
GO:1902600 proton transmembrane transport
Cellular Component
GO:0000220 vacuolar proton-transporting V-type ATPase, V0 domain
GO:0005886 plasma membrane
GO:0016020 membrane
GO:0016471 vacuolar proton-transporting V-type ATPase complex
GO:0030665 clathrin-coated vesicle membrane
GO:0030672 synaptic vesicle membrane
GO:0031410 cytoplasmic vesicle
GO:0033179 proton-transporting V-type ATPase, V0 domain
GO:0042470 melanosome
GO:0045202 synapse

View graph for
Molecular Function
View graph for
Biological Process
View graph for
Cellular Component
External links
PDB RCSB:7khr, PDBe:7khr, PDBj:7khr
PDBsum7khr
PubMed33741963
UniProtQ29466|VPP1_BOVIN V-type proton ATPase 116 kDa subunit a 1 (Gene Name=ATP6V0A1)

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