Structure of PDB 1skq Chain B Binding Site BS01

Receptor Information
>1skq Chain B (length=416) Species: 2287 (Saccharolobus solfataricus) [Search protein sequence] [Download receptor structure] [Download structure with residue number starting from 1] [View receptor structure]
KPHLNLIVIGHVDHGKSTLVGRLLMDRGFIDEKTVKEAEEAAKKLGKESE
KFAFLLDRLKEEMRFETKKYFFTIIDAPGHRDFVKNMITGASQADAAILV
VSAKKGEYEAGMSVEGQTREHIILAKTMGLDQLIVAVNKMDLTEPPYDEK
RYKEIVDQVSKFMRSYGFNTNKVRFVPVVAPSGDNITHKSENMKWYNGPT
LEEYLDQLELPPKPVDKPLRIPIQDVYSISGVGTVPVGRVESGVLKVGDK
IVFMPAGKVGEVRSIETHHTKMDKAEPGDNIGFNVRGVEKKDIKRGDVVG
HPNNPPTVADEFTARIIVVWHPTALANGYTPVLHVHTASVACRVSELVSK
LDPRTGQEAEKNPQFLKQGDVAIVKFKPIKPLCVEKYNEFPPLGRFAMRD
MGKTVGVGIIVDVKPA
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 chain1skq Chain B Residue 501 [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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PDB1skq The crystal structure of Sulfolobus solfataricus elongation factor 1alpha in complex with magnesium and GDP.
Resolution1.8 Å
Binding residue
(original residue number in PDB)		D16 G18 K19 S20 T21 N152 K153 D155 L156 V193 P195
Binding residue
(residue number reindexed from 1)		D13 G15 K16 S17 T18 N138 K139 D141 L142 V179 P181
Annotation score4
Enzymatic activity
Catalytic site (original residue number in PDB) D16 K19 S20 H94
Catalytic site (residue number reindexed from 1) D13 K16 S17 H80
Enzyme Commision number ?
Gene Ontology
Molecular Function
GO:0003746 translation elongation factor activity
GO:0003924 GTPase activity
GO:0005525 GTP binding
Biological Process
GO:0006412 translation
GO:0006414 translational elongation
Cellular Component
GO:0005737 cytoplasm

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Molecular Function
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Biological Process
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Cellular Component
External links
PDB RCSB:1skq, PDBe:1skq, PDBj:1skq
PDBsum1skq
PubMed15157096
UniProtP35021|EF1A_SACS2 Elongation factor 1-alpha (Gene Name=tuf)

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