Structure of PDB 7khr Chain a Binding Site BS01

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 IDMAN
InChIInChI=1S/C6H12O6/c7-1-2-3(8)4(9)5(10)6(11)12-2/h2-11H,1H2/t2-,3-,4+,5+,6+/m1/s1
InChIKeyWQZGKKKJIJFFOK-PQMKYFCFSA-N
SMILES
SoftwareSMILES
OpenEye OEToolkits 1.5.0C(C1C(C(C(C(O1)O)O)O)O)O
CACTVS 3.341OC[CH]1O[CH](O)[CH](O)[CH](O)[CH]1O
CACTVS 3.341OC[C@H]1O[C@H](O)[C@@H](O)[C@@H](O)[C@@H]1O
OpenEye OEToolkits 1.5.0C([C@@H]1[C@H]([C@@H]([C@@H]([C@H](O1)O)O)O)O)O
ACDLabs 10.04OC1C(O)C(OC(O)C1O)CO
FormulaC6 H12 O6
Namealpha-D-mannopyranose;
alpha-D-mannose;
D-mannose;
mannose
ChEMBLCHEMBL365590
DrugBank
ZINCZINC000003860903
PDB chain7khr Chain t Residue 5 [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)		Q502 L503 N504
Binding residue
(residue number reindexed from 1)		Q473 L474 N475
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

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Molecular Function
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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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