Structure of PDB 3b2e Chain A Binding Site BS01

Receptor Information
>3b2e Chain A (length=307) Species: 4932 (Saccharomyces cerevisiae) [Search protein sequence] [Download receptor structure] [Download structure with residue number starting from 1] [View receptor structure]
LTVEPNLHSLITSTTHKWIFVGGKGGVGKTTSSCSIAIQMALSQPNKQFL
LISTDPAHNLSDAFGEKFGKDARKVTGMNNLSCMEIDPSAALKDMNDLAD
LTGSIPGIDEALSFMEVMKHIKRQEQDEGETFDTVIFDTAPTGHTLRFLQ
LPNTLSKLLEKFGGNVDISGKLNELKANVETIRQQFTDPDLTTFVCVCIS
EFLSLYETERLIQELISYDMDVNSIIVNQLLFAENDQEHNCKRCQARWKM
QKKYLDQIDELYEDFHVVKMPLCAGEIRGLNNLTKFSQFLNKEYNPITDG
KVIYELE
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 chain3b2e Chain A Residue 401 [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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PDB3b2e Get1 stabilizes an open dimer conformation of get3 ATPase by binding two distinct interfaces
Resolution3.0 Å
Binding residue
(original residue number in PDB)		G30 K31 T32 N272 L316 C317 E320 I321 R322 F330
Binding residue
(residue number reindexed from 1)		G28 K29 T30 N228 L272 C273 E276 I277 R278 F286
Annotation score5
Enzymatic activity
Catalytic site (original residue number in PDB) G28 G30 K31 T32 T33 D57
Catalytic site (residue number reindexed from 1) G26 G28 K29 T30 T31 D55
Enzyme Commision number 3.6.-.-
Gene Ontology
Molecular Function
GO:0005085 guanyl-nucleotide exchange factor activity
GO:0005515 protein binding
GO:0005524 ATP binding
GO:0008270 zinc ion binding
GO:0016787 hydrolase activity
GO:0016887 ATP hydrolysis activity
GO:0042802 identical protein binding
GO:0044183 protein folding chaperone
GO:0046872 metal ion binding
GO:0051082 unfolded protein binding
Biological Process
GO:0000750 pheromone-dependent signal transduction involved in conjugation with cellular fusion
GO:0006457 protein folding
GO:0006620 post-translational protein targeting to endoplasmic reticulum membrane
GO:0006890 retrograde vesicle-mediated transport, Golgi to endoplasmic reticulum
GO:0009408 response to heat
GO:0010038 response to metal ion
GO:0016192 vesicle-mediated transport
GO:0034599 cellular response to oxidative stress
GO:0045048 protein insertion into ER membrane
GO:0046685 response to arsenic-containing substance
GO:0071816 tail-anchored membrane protein insertion into ER membrane
Cellular Component
GO:0005737 cytoplasm
GO:0005783 endoplasmic reticulum
GO:0005789 endoplasmic reticulum membrane
GO:0005794 Golgi apparatus
GO:0005829 cytosol
GO:0043529 GET complex

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Molecular Function
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Biological Process
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Cellular Component
External links
PDB RCSB:3b2e, PDBe:3b2e, PDBj:3b2e
PDBsum3b2e
PubMed22684149
UniProtQ12154|GET3_YEAST ATPase GET3 (Gene Name=GET3)

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