Structure of PDB 1r4a Chain A Binding Site BS02

Receptor Information
>1r4a Chain A (length=165) Species: 10116 (Rattus norvegicus) [Search protein sequence] [Download receptor structure] [Download structure with residue number starting from 1] [View receptor structure]
REMRILILGLDGAGKTTILYRLQVGEVVTTIPTIGFNVETVTYKNLKFQV
WDLGGQTSIRPYWRCYYSNTDAVIYVVDSCDRDRIGISKSELVAMLEEEE
LRKAILVVFANKQDMEQAMTPSEMANALGLPALKDRKWQIFKTSATKGTG
LDEAMEWLVETLKSR
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 chain1r4a Chain A Residue 1201 [Download ligand structure] [Download structure with residue number starting from 1] [View ligand structure]
Receptor-Ligand Complex Structure
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PDB1r4a Structural basis for recruitment of GRIP domain golgin-245 by small GTPase Arl1.
Resolution2.3 Å
Binding residue
(original residue number in PDB)		G27 G29 K30 T31 T32 V43 T45 T48 N126 K127 D129 M130 S159 A160 T161
Binding residue
(residue number reindexed from 1)		G12 G14 K15 T16 T17 V28 T30 T33 N111 K112 D114 M115 S144 A145 T146
Annotation score3
Enzymatic activity
Catalytic site (original residue number in PDB) Q71
Catalytic site (residue number reindexed from 1) Q56
Enzyme Commision number ?
Gene Ontology
Molecular Function
GO:0003924 GTPase activity
GO:0005525 GTP binding
GO:0008047 enzyme activator activity
GO:0019904 protein domain specific binding
GO:0046872 metal ion binding
GO:1990583 phospholipase D activator activity
Biological Process
GO:0006886 intracellular protein transport
GO:0007030 Golgi organization
GO:0009404 toxin metabolic process
GO:0016192 vesicle-mediated transport
GO:0034067 protein localization to Golgi apparatus
GO:0042147 retrograde transport, endosome to Golgi
GO:0048193 Golgi vesicle transport
Cellular Component
GO:0000139 Golgi membrane
GO:0005737 cytoplasm
GO:0005794 Golgi apparatus
GO:0005802 trans-Golgi network
GO:0005829 cytosol
GO:0016020 membrane

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Molecular Function
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Biological Process
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Cellular Component
External links
PDB RCSB:1r4a, PDBe:1r4a, PDBj:1r4a
PDBsum1r4a
PubMed14718928
UniProtP61212|ARL1_RAT ADP-ribosylation factor-like protein 1 (Gene Name=Arl1)

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