Structure of PDB 4v0o Chain E Binding Site BS01

Receptor Information
>4v0o Chain E (length=166) Species: 3055 (Chlamydomonas reinhardtii) [Search protein sequence] [Download receptor structure] [Download structure with residue number starting from 1] [View receptor structure]
SKKVNVLVVGLDNSGKTTIIERLKPRPRQAAEVAPTVGFTVDEVEKGPLT
FTVFDMSGAGRYRTLWEQYYREADAVVFVVDSADKLRMVVARDEMEHMLK
HSNMRKVPILYFANKKDLPVAMPPVEIAQALGLDDIKDRPWQIVPSNGLT
GEGVDKGIDWLAERLS
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 chain4v0o Chain E Residue 600 [Download ligand structure] [Download structure with residue number starting from 1] [View ligand structure]
Receptor-Ligand Complex Structure
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PDB4v0o Structural Basis for Membrane Targeting of the Bbsome by Arl6
Resolution3.351 Å
Binding residue
(original residue number in PDB)		N27 S28 G29 K30 T31 T32 T50 N128 K129 D131 N161 L163
Binding residue
(residue number reindexed from 1)		N13 S14 G15 K16 T17 T18 T36 N114 K115 D117 N147 L149
Annotation score4
Enzymatic activity
Catalytic site (original residue number in PDB) A73
Catalytic site (residue number reindexed from 1) A59
Enzyme Commision number ?
Gene Ontology
Molecular Function
GO:0003924 GTPase activity
GO:0005525 GTP binding
GO:0046872 metal ion binding
Biological Process
GO:0006886 intracellular protein transport
GO:0016192 vesicle-mediated transport
GO:0060271 cilium assembly
GO:0061512 protein localization to cilium
Cellular Component
GO:0005737 cytoplasm
GO:0005930 axoneme

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Molecular Function
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Biological Process
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Cellular Component
External links
PDB RCSB:4v0o, PDBe:4v0o, PDBj:4v0o
PDBsum4v0o
PubMed25402481
UniProtA8JF99

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