Structure of PDB 3bh6 Chain A Binding Site BS02

Receptor Information
>3bh6 Chain A (length=161) Species: 10090 (Mus musculus) [Search protein sequence] [Download receptor structure] [Download structure with residue number starting from 1] [View receptor structure]
EVRILLLGLDNAGKTTLLKQLASEDISHITPTQGFNIKSVQSQGFKLNVW
DIGGLRKIRPYWRSYFENTDILIYVIDSADRKRFEETGQELTELLEEEKL
SCVPVLIFANKQDLLTAAPASEIAEGLNLHTIRDRVWQIQSCSALTGEGV
QDGMNWVCKNV
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 chain3bh6 Chain A Residue 1 [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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PDB3bh6 The retinitis pigmentosa 2 gene product is a GTPase-activating protein for Arf-like 3
Resolution2.6 Å
Binding residue
(original residue number in PDB)		D26 N27 G29 K30 T31 T32 T48 G70 N126 K127 D129 S159 A160 L161
Binding residue
(residue number reindexed from 1)		D10 N11 G13 K14 T15 T16 T32 G54 N110 K111 D113 S143 A144 L145
Annotation score3
Enzymatic activity
Catalytic site (original residue number in PDB) L71
Catalytic site (residue number reindexed from 1) L55
Enzyme Commision number ?
Gene Ontology
Molecular Function
GO:0003924 GTPase activity
GO:0005525 GTP binding

View graph for
Molecular Function
External links
PDB RCSB:3bh6, PDBe:3bh6, PDBj:3bh6
PDBsum3bh6
PubMed18376416
UniProtQ9WUL7|ARL3_MOUSE ADP-ribosylation factor-like protein 3 (Gene Name=Arl3)

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