Structure of PDB 6j23 Chain A Binding Site BS01

Receptor Information
>6j23 Chain A (length=338) Species: 3702 (Arabidopsis thaliana) [Search protein sequence] [Download receptor structure] [Download structure with residue number starting from 1] [View receptor structure]
MEWIQSLPKIELHAHLNGSIRDSTLLELARVLGEKGVIVFADVEHVIQKN
DRSLVEVFKLFDLIHKLTTDHKTVTRITREVVEDFALENVVYLELRTTPK
RSDSIGMSKRSYMEAVIQGLRSVSEVDIDFVRKKIYVRLLLSIDRRETTE
SAMETVKLALEMRDVGVVGIDLSGNPLVGEWSTFLPALQYAKDNDLHITL
HCGEVPNPKEIQAMLDFKPHRIGHACFFKDEDWTKLKSFRIPVEICLTSN
IVTKSISSIDIHHFADLYNAKHPLILCTNDFGVFSTSLSNEYALAVRSLG
LSKSETFALARAAIDATFAEDEVKQQLRFIFDSASPEH
Ligand information
Ligand ID5GP
InChIInChI=1S/C10H14N5O8P/c11-10-13-7-4(8(18)14-10)12-2-15(7)9-6(17)5(16)3(23-9)1-22-24(19,20)21/h2-3,5-6,9,16-17H,1H2,(H2,19,20,21)(H3,11,13,14,18)/t3-,5-,6-,9-/m1/s1
InChIKeyRQFCJASXJCIDSX-UUOKFMHZSA-N
SMILES
SoftwareSMILES
CACTVS 3.341NC1=Nc2n(cnc2C(=O)N1)[C@@H]3O[C@H](CO[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)[CH](O)[CH]3O
ACDLabs 10.04O=C1c2ncn(c2N=C(N)N1)C3OC(C(O)C3O)COP(=O)(O)O
OpenEye OEToolkits 1.5.0c1nc2c(n1C3C(C(C(O3)COP(=O)(O)O)O)O)N=C(NC2=O)N
OpenEye OEToolkits 1.5.0c1nc2c(n1[C@H]3[C@@H]([C@@H]([C@H](O3)COP(=O)(O)O)O)O)N=C(NC2=O)N
FormulaC10 H14 N5 O8 P
NameGUANOSINE-5'-MONOPHOSPHATE
ChEMBLCHEMBL283807
DrugBankDB01972
ZINCZINC000002159505
PDB chain6j23 Chain A Residue 401 [Download ligand structure] [Download structure with residue number starting from 1] [View ligand structure]
Receptor-Ligand Complex Structure
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PDB6j23 Structure ofArabidopsis thaliana N6-methyl-AMP deaminase ADAL with bound GMP and IMP and implications forN6-methyl-AMP recognition and processing.
Resolution1.9 Å
Binding residue
(original residue number in PDB)		H15 N17 F58 F61 H65 T97 T98 K100 G190 H217 E220 D296
Binding residue
(residue number reindexed from 1)		H15 N17 F58 F61 H65 T97 T98 K100 G174 H201 E204 D280
Annotation score2
Enzymatic activity
Enzyme Commision number 3.5.4.-
Gene Ontology
Molecular Function
GO:0016787 hydrolase activity
GO:0019239 deaminase activity
GO:0046872 metal ion binding
GO:0062154 N6-methyl-AMP deaminase activity
Biological Process
GO:0006401 RNA catabolic process
GO:0009117 nucleotide metabolic process
Cellular Component
GO:0005737 cytoplasm
GO:0005829 cytosol

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Molecular Function
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Biological Process
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Cellular Component
External links
PDB RCSB:6j23, PDBe:6j23, PDBj:6j23
PDBsum6j23
PubMed31318636
UniProtQ8LPL7|ADAL_ARATH N6-mAMP deaminase (Gene Name=MAPDA)

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