Structure of PDB 6j4t Chain A Binding Site BS01

Receptor Information
>6j4t Chain A (length=340) Species: 3702 (Arabidopsis thaliana) [Search protein sequence] [Download receptor structure] [Download structure with residue number starting from 1] [View receptor structure]
MEWIQSLPKIELHAHLNGSIRDSTLLELARVLGEKGVIVFADVEHVIQKN
DRSLVEVFKLFDLIHKLTTDHKTVTRITREVVEDFALENVVYLELRTTPK
RSDSIGMSKRSYMEAVIQGLRSVSEVDIDFVTRKKIYVRLLLSIDRRETT
ESAMETVKLALEMRDVGVVGIDLSGNPLVGEWSTFLPALQYAKDNDLHIT
LHCGEVPNPKEIQAMLDFKPHRIGHACFFKDEDWTKLKSFRIPVEICLTS
NIVTKSISSIDIHHFADLYNAKHPLILCTNDFGVFSTSLSNEYALAVRSL
GLSKSETFALARAAIDATFAEDEVKQQLRFIFDSASPEHV
Ligand information
Ligand IDIMP
InChIInChI=1S/C10H13N4O8P/c15-6-4(1-21-23(18,19)20)22-10(7(6)16)14-3-13-5-8(14)11-2-12-9(5)17/h2-4,6-7,10,15-16H,1H2,(H,11,12,17)(H2,18,19,20)/t4-,6-,7-,10-/m1/s1
InChIKeyGRSZFWQUAKGDAV-KQYNXXCUSA-N
SMILES
SoftwareSMILES
OpenEye OEToolkits 1.7.5c1nc2c(n1[C@H]3[C@@H]([C@@H]([C@H](O3)COP(=O)(O)O)O)O)N=CNC2=O
ACDLabs 10.04O=C1c2ncn(c2N=CN1)C3OC(C(O)C3O)COP(=O)(O)O
OpenEye OEToolkits 1.7.5c1nc2c(n1C3C(C(C(O3)COP(=O)(O)O)O)O)N=CNC2=O
CACTVS 3.385O[CH]1[CH](O)[CH](O[CH]1CO[P](O)(O)=O)n2cnc3C(=O)NC=Nc23
CACTVS 3.385O[C@H]1[C@@H](O)[C@@H](O[C@@H]1CO[P](O)(O)=O)n2cnc3C(=O)NC=Nc23
FormulaC10 H13 N4 O8 P
NameINOSINIC ACID
ChEMBLCHEMBL1207374
DrugBankDB04566
ZINCZINC000004228242
PDB chain6j4t 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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PDB6j4t Structure ofArabidopsis thaliana N6-methyl-AMP deaminase ADAL with bound GMP and IMP and implications forN6-methyl-AMP recognition and processing.
Resolution1.82 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 G175 H202 E205 D281
Annotation score4
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:6j4t, PDBe:6j4t, PDBj:6j4t
PDBsum6j4t
PubMed31318636
UniProtQ8LPL7|ADAL_ARATH N6-mAMP deaminase (Gene Name=MAPDA)

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