Structure of PDB 3kxi Chain A Binding Site BS01

Receptor Information
>3kxi Chain A (length=326) Species: 2287 (Saccharolobus solfataricus) [Search protein sequence] [Download receptor structure] [Download structure with residue number starting from 1] [View receptor structure]
MKTAALFVSKEFEEEAIALVEGANYKVTSIYKLPKSPNVKFYIQYDKLQQ
IKNDEEISTLIIFEQLKPRHFINIRRELKGKEVLDKILLLLEIFALHAGS
KEAKMQIELARLKYELPIIKETVESTIKFYKRRINKLMKELESIKIFKEK
SIESNKRNNIPSIGIVGYTNSGKTSLFNSLTGLTPKRYAIPINNRKIMLV
DTVGFIRGIPPQIVDAFFVTLSEAKYSDALILVIDSTFSENLLIETLQSS
FEILREIGVSGKPILVTLNKIDKINGDLYKKLDLVEKLSKELYSPIFDVI
PISALKRTNLELLRDKIYQLATQLSL
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 chain3kxi Chain A Residue 500 [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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PDB3kxi Functional study on GTP hydrolysis by the GTP binding protein from Sulfolobus solfataricus, a member of the HflX family.
Resolution2.65 Å
Binding residue
(original residue number in PDB)		T188 N189 S190 G191 K192 T193 S194 N300 K301 D303 S334 A335 L336
Binding residue
(residue number reindexed from 1)		T169 N170 S171 G172 K173 T174 S175 N269 K270 D272 S303 A304 L305
Annotation score4
Enzymatic activity
Enzyme Commision number ?
Gene Ontology
Molecular Function
GO:0003924 GTPase activity
GO:0005525 GTP binding
GO:0043022 ribosome binding
GO:0046872 metal ion binding
Cellular Component
GO:0005737 cytoplasm

View graph for
Molecular Function
View graph for
Cellular Component
External links
PDB RCSB:3kxi, PDBe:3kxi, PDBj:3kxi
PDBsum3kxi
PubMed20400571
UniProtQ980M3|HFLX_SACS2 GTPase HflX (Gene Name=hflX)

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