Structure of PDB 6iae Chain A Binding Site BS01

Receptor Information
>6iae Chain A (length=155) Species: 185431 (Trypanosoma brucei brucei TREU927) [Search protein sequence] [Download receptor structure] [Download structure with residue number starting from 1] [View receptor structure]
DDLVKILVLGPSKSGKSTVTNFLAGTRDETNPLRVLEVEIALKAVVQLWD
VGGSWPAIASNADGIIYVFNPEVKGSEKELLLWYKNFAMRVTDGHSLIFS
HHSSLPEFAVGDNAIPPMPKQLQGIRALETSLDYQSDNFKEAFDALVEQI
IASRL
Ligand information
Ligand IDGTP
InChIInChI=1S/C10H16N5O14P3/c11-10-13-7-4(8(18)14-10)12-2-15(7)9-6(17)5(16)3(27-9)1-26-31(22,23)29-32(24,25)28-30(19,20)21/h2-3,5-6,9,16-17H,1H2,(H,22,23)(H,24,25)(H2,19,20,21)(H3,11,13,14,18)/t3-,5-,6-,9-/m1/s1
InChIKeyXKMLYUALXHKNFT-UUOKFMHZSA-N
SMILES
SoftwareSMILES
OpenEye OEToolkits 1.7.6c1nc2c(n1[C@H]3[C@@H]([C@@H]([C@H](O3)CO[P@](=O)(O)O[P@](=O)(O)OP(=O)(O)O)O)O)N=C(NC2=O)N
CACTVS 3.370NC1=Nc2n(cnc2C(=O)N1)[C@@H]3O[C@H](CO[P](O)(=O)O[P](O)(=O)O[P](O)(O)=O)[C@@H](O)[C@H]3O
CACTVS 3.370NC1=Nc2n(cnc2C(=O)N1)[CH]3O[CH](CO[P](O)(=O)O[P](O)(=O)O[P](O)(O)=O)[CH](O)[CH]3O
OpenEye OEToolkits 1.7.6c1nc2c(n1C3C(C(C(O3)COP(=O)(O)OP(=O)(O)OP(=O)(O)O)O)O)N=C(NC2=O)N
ACDLabs 12.01O=P(O)(O)OP(=O)(O)OP(=O)(O)OCC3OC(n2cnc1c2N=C(N)NC1=O)C(O)C3O
FormulaC10 H16 N5 O14 P3
NameGUANOSINE-5'-TRIPHOSPHATE
ChEMBLCHEMBL1233147
DrugBankDB04137
ZINCZINC000060094177
PDB chain6iae Chain A Residue 301 [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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PDB6iae Binding of IFT22 to the intraflagellar transport complex is essential for flagellum assembly.
Resolution2.49 Å
Binding residue
(original residue number in PDB)		S14 K15 S16 G17 K18 S19 T20 T39 H143 H144 S145 L174 D175
Binding residue
(residue number reindexed from 1)		S12 K13 S14 G15 K16 S17 T18 T30 H101 H102 S103 L132 D133
Annotation score4
Binding affinityPDBbind-CN: -logKd/Ki=4.70,Kd=20uM
Enzymatic activity
Enzyme Commision number ?
Gene Ontology
Molecular Function
GO:0003924 GTPase activity
GO:0005525 GTP binding
Biological Process
GO:0006886 intracellular protein transport
GO:0060271 cilium assembly
Cellular Component
GO:0005737 cytoplasm
GO:0005856 cytoskeleton
GO:0005929 cilium
GO:0012505 endomembrane system
GO:0030992 intraciliary transport particle B
GO:0031514 motile cilium
GO:0036064 ciliary basal body

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Molecular Function
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Biological Process
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Cellular Component
External links
PDB RCSB:6iae, PDBe:6iae, PDBj:6iae
PDBsum6iae
PubMed30940671
UniProtQ381A3|IFT22_TRYB2 Intraflagellar transport protein 22 (Gene Name=IFT22)

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