Structure of PDB 3iqx Chain A Binding Site BS01

Receptor Information
>3iqx Chain A (length=261) Species: 209285 (Thermochaetoides thermophila) [Search protein sequence] [Download receptor structure] [Download structure with residue number starting from 1] [View receptor structure]
SMEPTLQSILDQRSLRWIFVGGKGGVGKTTTSCSLAIQLAKVRRSVLLLS
TDPAHNLSDAFSQKFGKEARLVEGFDNLYAMEIDPAIPGIDEAMSFAEVL
KQVNSLSYETIVFDTAPTGHTLRFLQFPTVLDVMEKLDSLRVTISEVNAQ
FKDERLTTFVCVCIPEFLSLYETERMIQELANYGIDTHCIVVNQLLFPKP
GSDCEQCTARRRMQKKYLDQIEELYDEEFNVVKMPLLVEEVRGKERLEKF
SEMLIKPFVPP
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 chain3iqx Chain A Residue 1 [Download ligand structure] [Download structure with residue number starting from 1] [View ligand structure]
Receptor-Ligand Complex Structure
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PDB3iqx Structural insights into tail-anchored protein binding and membrane insertion by Get3.
Resolution3.5 Å
Binding residue
(original residue number in PDB)		G37 G39 K40 T41 T42 N270 L313 L314 V318 F327
Binding residue
(residue number reindexed from 1)		G25 G27 K28 T29 T30 N193 L236 L237 V241 F250
Annotation score5
Enzymatic activity
Catalytic site (original residue number in PDB) G37 G39 K40 T41 T42 D64
Catalytic site (residue number reindexed from 1) G25 G27 K28 T29 T30 D52
Enzyme Commision number ?
Gene Ontology
Molecular Function
GO:0005524 ATP binding
GO:0016787 hydrolase activity
GO:0016887 ATP hydrolysis activity
GO:0046872 metal ion binding
Biological Process
GO:0006620 post-translational protein targeting to endoplasmic reticulum membrane
GO:0045048 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:3iqx, PDBe:3iqx, PDBj:3iqx
PDBsum3iqx
PubMed19948960
UniProtG0SFE0

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