Structure of PDB 3ibg Chain C Binding Site BS01

Receptor Information
>3ibg Chain C (length=300) [Search protein sequence] [Download receptor structure] [Download structure with residue number starting from 1] [View receptor structure]
LMEPTLQSILSQKTLRWIFVGGKGGVGKTTTSCSLAIQLAKVRKSVLLIS
TDPAHNLSDAFGQKFGKEARLVDGYSNLSAMEIDPNGSIQDLLASQDLAF
SIPGVDEAMSFAEVLKQVKSLSYEVIVFDTAPTGHTLRFLQFPTVLEKAL
AKLSQLSSQFSILGARGGLPGGQNIDELLQKMESLRETISEVNTQFKNPD
MTTFVCVCIAEFLSLYETERMIQELTSYGIDTHAIVVNQLLFPGCEQCNA
RRKMQKKYLEQIEELYEDFNVVRMPLLVEEVRGKEKLEKFSEMLVHPYVP
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 chain3ibg Chain C Residue 349 [Download ligand structure] [Download structure with residue number starting from 1] [View ligand structure]
Receptor-Ligand Complex Structure
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PDB3ibg Model for eukaryotic tail-anchored protein binding based on the structure of Get3
Resolution3.2 Å
Binding residue
(original residue number in PDB)		G36 G38 K39 T40 T41 N272 L314 L315 V319 R320
Binding residue
(residue number reindexed from 1)		G25 G27 K28 T29 T30 N238 L276 L277 V281 R282
Annotation score5
Enzymatic activity
Enzyme Commision number 3.6.-.-
Gene Ontology
Molecular Function
GO:0005085 guanyl-nucleotide exchange factor activity
GO:0005524 ATP 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:0034599 cellular response to oxidative stress
GO:0045048 protein insertion into ER membrane
GO:0071816 tail-anchored membrane protein insertion into ER membrane
Cellular Component
GO:0005737 cytoplasm
GO:0005783 endoplasmic reticulum
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:3ibg, PDBe:3ibg, PDBj:3ibg
PDBsum3ibg
PubMed19706470
UniProtQ4WY07|GET3_ASPFU ATPase get3 (Gene Name=get3)

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