Structure of PDB 4ile Chain A Binding Site BS01

Receptor Information
>4ile Chain A (length=176) Species: 9606 (Homo sapiens) [Search protein sequence] [Download receptor structure] [Download structure with residue number starting from 1] [View receptor structure]
KLLDWFKALFWKEEMELTLVGLQYSGKTTFVNVIASGQFNEDMIPTVGFN
MRKITKGNVTIKLWDIGGQPRFRSMWERYCRGVSAIVYMVDAADQEKIEA
SKNELHNLLDKPQLQGIPVLVLGNKRDLPGALDEKELIEKMNLSAIQDRE
ICCYSISCKEKDNIDITLQWLIQHSR
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 chain4ile Chain A Residue 201 [Download ligand structure] [Download structure with residue number starting from 1] [View ligand structure]
Receptor-Ligand Complex Structure
Global viewLocal viewStructure summary

[Spin on] [Spin off] [Reset]
[High quality] [Low quality]
[White background] [Black background]
[Spin on] [Spin off] [Reset]
[High quality] [Low quality]
[White background] [Black background]
PDB4ile Structure of human ADP-ribosylation factor-like 8A binding to GDP
Resolution2.676 Å
Binding residue
(original residue number in PDB)		Y30 S31 G32 K33 T34 T35 N130 K131 D133 L134 S163 C164 K165
Binding residue
(residue number reindexed from 1)		Y24 S25 G26 K27 T28 T29 N124 K125 D127 L128 S157 C158 K159
Annotation score4
Enzymatic activity
Catalytic site (original residue number in PDB) Q75
Catalytic site (residue number reindexed from 1) Q69
Enzyme Commision number ?
Gene Ontology
Molecular Function
GO:0003924 GTPase activity
GO:0005515 protein binding
GO:0005525 GTP binding
GO:0043014 alpha-tubulin binding
GO:0048487 beta-tubulin binding
Biological Process
GO:0007059 chromosome segregation
GO:0008089 anterograde axonal transport
GO:0015031 protein transport
GO:0051301 cell division
Cellular Component
GO:0005737 cytoplasm
GO:0005764 lysosome
GO:0005765 lysosomal membrane
GO:0005768 endosome
GO:0005819 spindle
GO:0005856 cytoskeleton
GO:0005886 plasma membrane
GO:0016020 membrane
GO:0030424 axon
GO:0030496 midbody
GO:0031902 late endosome membrane
GO:0035577 azurophil granule membrane
GO:0042995 cell projection
GO:0045202 synapse
GO:0051233 spindle midzone
GO:0070062 extracellular exosome
GO:0101003 ficolin-1-rich granule membrane
GO:1904115 axon cytoplasm

View graph for
Molecular Function
View graph for
Biological Process
View graph for
Cellular Component
External links
PDB RCSB:4ile, PDBe:4ile, PDBj:4ile
PDBsum4ile
PubMed
UniProtQ96BM9|ARL8A_HUMAN ADP-ribosylation factor-like protein 8A (Gene Name=ARL8A)

[Back to BioLiP]