Structure of PDB 2iyl Chain D Binding Site BS01

Receptor Information
>2iyl Chain D (length=271) Species: 271 (Thermus aquaticus) [Search protein sequence] [Download receptor structure] [Download structure with residue number starting from 1] [View receptor structure]
AIPWGGNLEEVLEELEMALLAADVGLSATEEILQEVRASGRKDLKEAVKE
KLVGMLEPDATLRKLGFNPQKPVEPKGRVVLVVGVNGVGKTTTIAKLGRY
YQNLGKKVMFCAGDTTQLSEWGKRLSIPVIQGPEGTDPAALAYDAVQAMK
ARGYDLLFVDTAGRLHTKHNLMEELKKVKRAIAKADPEEPKEVWLVLDAV
TGQLEQAKKFHEAVGLTGVIVTKLDGTAKGGVLIPIVRTLKVPIKFVGVG
EGPDDLQPFDPEAFVEALLED
Ligand information
Ligand IDGDP
InChIInChI=1S/C10H15N5O11P2/c11-10-13-7-4(8(18)14-10)12-2-15(7)9-6(17)5(16)3(25-9)1-24-28(22,23)26-27(19,20)21/h2-3,5-6,9,16-17H,1H2,(H,22,23)(H2,19,20,21)(H3,11,13,14,18)/t3-,5-,6-,9-/m1/s1
InChIKeyQGWNDRXFNXRZMB-UUOKFMHZSA-N
SMILES
SoftwareSMILES
OpenEye OEToolkits 1.7.6c1nc2c(n1C3C(C(C(O3)COP(=O)(O)OP(=O)(O)O)O)O)N=C(NC2=O)N
CACTVS 3.385NC1=Nc2n(cnc2C(=O)N1)[C@@H]3O[C@H](CO[P](O)(=O)O[P](O)(O)=O)[C@@H](O)[C@H]3O
CACTVS 3.385NC1=Nc2n(cnc2C(=O)N1)[CH]3O[CH](CO[P](O)(=O)O[P](O)(O)=O)[CH](O)[CH]3O
ACDLabs 12.01O=P(O)(O)OP(=O)(O)OCC3OC(n2cnc1c2N=C(N)NC1=O)C(O)C3O
OpenEye OEToolkits 1.7.6c1nc2c(n1[C@H]3[C@@H]([C@@H]([C@H](O3)CO[P@](=O)(O)OP(=O)(O)O)O)O)N=C(NC2=O)N
FormulaC10 H15 N5 O11 P2
NameGUANOSINE-5'-DIPHOSPHATE
ChEMBLCHEMBL384759
DrugBankDB04315
ZINCZINC000008215481
PDB chain2iyl Chain D Residue 1001 [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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PDB2iyl X-ray structure of the T. aquaticus FtsY:GDP complex suggests functional roles for the C-terminal helix of the SRP GTPases.
Resolution2.1 Å
Binding residue
(original residue number in PDB)		G112 V113 G114 K115 T116 T117 K256 D258 G281 G283 E284
Binding residue
(residue number reindexed from 1)		G87 V88 G89 K90 T91 T92 K223 D225 G248 G250 E251
Annotation score4
Enzymatic activity
Enzyme Commision number 3.6.5.4: signal-recognition-particle GTPase.
Gene Ontology
Molecular Function
GO:0003924 GTPase activity
GO:0005047 signal recognition particle binding
GO:0005515 protein binding
GO:0005525 GTP binding
GO:0016787 hydrolase activity
GO:0016887 ATP hydrolysis activity
Biological Process
GO:0006605 protein targeting
GO:0006612 protein targeting to membrane
GO:0006614 SRP-dependent cotranslational protein targeting to membrane
Cellular Component
GO:0005737 cytoplasm
GO:0005886 plasma membrane
GO:0016020 membrane

View graph for
Molecular Function
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Biological Process
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Cellular Component
External links
PDB RCSB:2iyl, PDBe:2iyl, PDBj:2iyl
PDBsum2iyl
PubMed17186523
UniProtP83749|FTSY_THEAQ Signal recognition particle receptor FtsY (Gene Name=ftsY)

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