Structure of PDB 4zi2 Chain A Binding Site BS01

Receptor Information
>4zi2 Chain A (length=185) Species: 10090 (Mus musculus) [Search protein sequence] [Download receptor structure] [Download structure with residue number starting from 1] [View receptor structure]
LLSILRKLKSAPDQEVRILLLGLDNAGKTTLLKQLASEDISHITPTQGFN
IKSVQSQGFKLNVWDIGGQRKIRPYWRSYFENTDILIYVIDSADRKRFEE
TGQELTELLEEEKLSCVPVLIFANKQDLLTAAPASEIAEGLNLHTIRDRV
WQIQSCSALTGEGVQDGMNWVCKNVNAKKKLEHHH
Ligand information
Ligand IDGNP
InChIInChI=1S/C10H17N6O13P3/c11-10-13-7-4(8(19)14-10)12-2-16(7)9-6(18)5(17)3(28-9)1-27-32(25,26)29-31(23,24)15-30(20,21)22/h2-3,5-6,9,17-18H,1H2,(H,25,26)(H3,11,13,14,19)(H4,15,20,21,22,23,24)/t3-,5-,6-,9-/m1/s1
InChIKeyUQABYHGXWYXDTK-UUOKFMHZSA-N
SMILES
SoftwareSMILES
ACDLabs 10.04O=P(O)(O)NP(=O)(O)OP(=O)(O)OCC3OC(n2cnc1c2N=C(N)NC1=O)C(O)C3O
OpenEye OEToolkits 1.5.0c1nc2c(n1[C@H]3[C@@H]([C@@H]([C@H](O3)CO[P@](=O)(O)O[P@@](=O)(NP(=O)(O)O)O)O)O)N=C(NC2=O)N
OpenEye OEToolkits 1.5.0c1nc2c(n1C3C(C(C(O3)COP(=O)(O)OP(=O)(NP(=O)(O)O)O)O)O)N=C(NC2=O)N
CACTVS 3.341NC1=Nc2n(cnc2C(=O)N1)[C@@H]3O[C@H](CO[P@@](O)(=O)O[P@@](O)(=O)N[P](O)(O)=O)[C@@H](O)[C@H]3O
CACTVS 3.341NC1=Nc2n(cnc2C(=O)N1)[CH]3O[CH](CO[P](O)(=O)O[P](O)(=O)N[P](O)(O)=O)[CH](O)[CH]3O
FormulaC10 H17 N6 O13 P3
NamePHOSPHOAMINOPHOSPHONIC ACID-GUANYLATE ESTER
ChEMBLCHEMBL1233085
DrugBankDB02082
ZINCZINC000037868676
PDB chain4zi2 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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PDB4zi2 The Interaction of CCDC104/BARTL1 with Arl3 and Implications for Ciliary Function.
Resolution2.2 Å
Binding residue
(original residue number in PDB)		D26 N27 G29 K30 T31 T32 T48 G70 N126 K127 D129 L130 S159 L161
Binding residue
(residue number reindexed from 1)		D24 N25 G27 K28 T29 T30 T46 G68 N124 K125 D127 L128 S157 L159
Annotation score3
Enzymatic activity
Catalytic site (original residue number in PDB) Q71
Catalytic site (residue number reindexed from 1) Q69
Enzyme Commision number ?
Gene Ontology
Molecular Function
GO:0000287 magnesium ion binding
GO:0003924 GTPase activity
GO:0005515 protein binding
GO:0005525 GTP binding
GO:0008017 microtubule binding
GO:0019003 GDP binding
GO:0046872 metal ion binding
Biological Process
GO:0000281 mitotic cytokinesis
GO:0001822 kidney development
GO:0006892 post-Golgi vesicle-mediated transport
GO:0006893 Golgi to plasma membrane transport
GO:0007224 smoothened signaling pathway
GO:0007264 small GTPase-mediated signal transduction
GO:0015031 protein transport
GO:0042073 intraciliary transport
GO:0042461 photoreceptor cell development
GO:0051301 cell division
GO:0060271 cilium assembly
GO:0061512 protein localization to cilium
GO:1903441 protein localization to ciliary membrane
Cellular Component
GO:0000139 Golgi membrane
GO:0005634 nucleus
GO:0005654 nucleoplasm
GO:0005737 cytoplasm
GO:0005794 Golgi apparatus
GO:0005813 centrosome
GO:0005819 spindle
GO:0005856 cytoskeleton
GO:0005876 spindle microtubule
GO:0005881 cytoplasmic microtubule
GO:0005929 cilium
GO:0005930 axoneme
GO:0016020 membrane
GO:0030496 midbody
GO:0032391 photoreceptor connecting cilium
GO:0035869 ciliary transition zone
GO:0036064 ciliary basal body
GO:0042995 cell projection

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Molecular Function
View graph for
Biological Process
View graph for
Cellular Component
External links
PDB RCSB:4zi2, PDBe:4zi2, PDBj:4zi2
PDBsum4zi2
PubMed26455799
UniProtQ9WUL7|ARL3_MOUSE ADP-ribosylation factor-like protein 3 (Gene Name=Arl3)

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