Structure of PDB 2a3l Chain A Binding Site BS02

Receptor Information
>2a3l Chain A (length=616) Species: 3702 (Arabidopsis thaliana) [Search protein sequence] [Download receptor structure] [Download structure with residue number starting from 1] [View receptor structure]
QPDPIAADILRKEPEQETFVRLNVPLEVPTSDEVEAYKCLQECLELRKRY
VFQETVAPWEKEEPFAHYPQGKSDHCFEMQDGVVHVFANKDAKEDLFPVA
DATAFFTDLHHVLKVIAAGNIRTLCHRRLVLLEQKFNLHLMLNADKEFLA
QKSAPHRDFYNVRKVDTHVHHSACMNQKHLLRFIKSKLRKEPDEVVIFRD
GTYLTLREVFESLDLTGYDLNVDLLDVHADKSTFHRFDKFNLKYNPCGQS
RLREIFLKQDNLIQGRFLGEITKQVFSDLEASKYQMAEYRISIYGRKMSE
WDQLASWIVNNDLYSENVVWLIQLPRLYNIYKDMGIVTSFQNILDNIFIP
LFEATVDPDSHPQLHVFLKQVVGFDLVDDESKPERRPTKHMPTPAQWTNA
FNPAFSYYVYYCYANLYVLNKLRESKGMTTITLRPHSGEAGDIDHLAATF
LTCHSIAHGINLRKSPVLQYLYYLAQIGLAMSPLSNNSLFLDYHRNPFPV
FFLRGLNVSLSTDDPLQIHLTKEPLVEEYSIAASVWKLSACDLCEIARNS
VYQSGFSHALKSHWIGKDYYKRGPDGNDIHKTNVPHIRVEFRDTIWKEEM
QQVYLGKAVISDEVVP
Ligand information
Ligand IDCF5
InChIInChI=1S/C11H17N4O8P/c16-5-1-12-3-13-10-7(5)14-4-15(10)11-9(18)8(17)6(23-11)2-22-24(19,20)21/h3-6,8-9,11,16-18H,1-2H2,(H,12,13)(H2,19,20,21)/t5-,6-,8-,9-,11-/m1/s1
InChIKeyLWLMFZVGOXTQAI-LODYRLCVSA-N
SMILES
SoftwareSMILES
OpenEye OEToolkits 1.5.0c1nc2c(n1C3C(C(C(O3)COP(=O)(O)O)O)O)N=CNCC2O
ACDLabs 10.04O=P(O)(O)OCC3OC(n2cnc1c2N=CNCC1O)C(O)C3O
OpenEye OEToolkits 1.5.0c1nc2c(n1[C@H]3[C@@H]([C@@H]([C@H](O3)COP(=O)(O)O)O)O)N=CNC[C@H]2O
CACTVS 3.341O[CH]1CNC=Nc2n(cnc12)[CH]3O[CH](CO[P](O)(O)=O)[CH](O)[CH]3O
CACTVS 3.341O[C@@H]1CNC=Nc2n(cnc12)[C@@H]3O[C@H](CO[P](O)(O)=O)[C@@H](O)[C@H]3O
FormulaC11 H17 N4 O8 P
NameCOFORMYCIN 5'-PHOSPHATE
ChEMBLCHEMBL1231747
DrugBank
ZINCZINC000033821249
PDB chain2a3l Chain A Residue 841 [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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PDB2a3l Membrane association, mechanism of action, and structure of Arabidopsis embryonic factor 1 (FAC1).
Resolution3.34 Å
Binding residue
(original residue number in PDB)		H391 H393 K462 F463 K466 Y467 H659 E662 H681 D736 D737 Q740
Binding residue
(residue number reindexed from 1)		H168 H170 K239 F240 K243 Y244 H436 E439 H458 D513 D514 Q517
Annotation score2
Enzymatic activity
Enzyme Commision number 3.5.4.6: AMP deaminase.
Gene Ontology
Molecular Function
GO:0003876 AMP deaminase activity
GO:0019239 deaminase activity
Biological Process
GO:0009168 purine ribonucleoside monophosphate biosynthetic process
GO:0032264 IMP salvage

View graph for
Molecular Function
View graph for
Biological Process
External links
PDB RCSB:2a3l, PDBe:2a3l, PDBj:2a3l
PDBsum2a3l
PubMed16543243
UniProtO80452|AMPD_ARATH AMP deaminase (Gene Name=AMPD)

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