Structure of PDB 2gm3 Chain A Binding Site BS01

Receptor Information

>2gm3 Chain A (length=153) Species: 3702 (Arabidopsis thaliana)

PTKVMVAVNASTIKDYPNPSISCKRAFEWTLEKIVRSNTSDFKILLLHVQ
VSIYASPEDFRDMRQSNKAKGLHLLEFFVNKCHEIGVGCEAWIKTGDPKD
VICQEVKRVRPDFLVVGSRGLGTVSAFCVKHAECPVMTIKRNADETPSDP
ADD

Ligand information

• Ligand ID: AMP
• InChI: InChI=1S/C10H14N5O7P/c11-8-5-9(13-2-12-8)15(3-14-5)10-7(17)6(16)4(22-10)1-21-23(18,19)20/h2-4,6-7,10,16-17H,1H2,(H2,11,12,13)(H2,18,19,20)/t4-,6-,7-,10-/m1/s1
• InChIKey: UDMBCSSLTHHNCD-KQYNXXCUSA-N
• SMILES:
  CACTVS 3.370: Nc1ncnc2n(cnc12)[CH]3O[CH](CO[P](O)(O)=O)[CH](O)[CH]3O
  CACTVS 3.370: Nc1ncnc2n(cnc12)[C@@H]3O[C@H](CO[P](O)(O)=O)[C@@H](O)[C@H]3O
  OpenEye OEToolkits 1.7.6: c1nc(c2c(n1)n(cn2)[C@H]3[C@@H]([C@@H]([C@H](O3)COP(=O)(O)O)O)O)N
  ACDLabs 12.01: O=P(O)(O)OCC3OC(n2cnc1c(ncnc12)N)C(O)C3O
  OpenEye OEToolkits 1.7.6: c1nc(c2c(n1)n(cn2)C3C(C(C(O3)COP(=O)(O)O)O)O)N
• Formula: C10 H14 N5 O7 P
• Name: ADENOSINE MONOPHOSPHATE
• ChEMBL: CHEMBL752
• DrugBank: DB00131
• ZINC: ZINC000003860156
• PDB chain: 2gm3 Chain A Residue 176

Receptor-Ligand Complex Structure

Structure summary

• PDB: 2gm3 Crystal structure of the protein At3g01520, a eukaryotic universal stress protein-like protein from arabidopsis thaliana in complex with AMP.
• Resolution: 2.461 Å
• Binding residue (original residue number in PDB): A11 V12 N13 S26 C27 V53 P112 V130 G131 R133 V146 S147
• Binding residue (residue number reindexed from 1): A7 V8 N9 S22 C23 V49 P98 V116 G117 R119 V124 S125
• Annotation score: 4

Gene Ontology

Molecular Function

• GO:0016208 AMP binding

Cellular Component

• GO:0005829 cytosol
• GO:0005886 plasma membrane

External links

• PDB: RCSB:2gm3, PDBe:2gm3, PDBj:2gm3
• PDBsum: 2gm3
• PubMed: 25921306
• UniProt: Q8LGG8|USPAL_ARATH Universal stress protein A-like protein (Gene Name=At3g01520)