Structure of PDB 7mxj Chain A Binding Site BS02

Receptor Information

>7mxj Chain A (length=285) Species: 196627 (Corynebacterium glutamicum ATCC 13032)

GMVELPFITPKPEDELLIDPVAAPQLVAGDIVAEQYEVLGVIAHGGMGWI
YLANDRNVSGRIVVLKGMMADQGTAEAEREFLADITHPGIVKAYNFIDDP
RVPGGFIVMEYVNGPSLKDRCKAQPDGVLRVDLAIGYILELLPAMDYLHQ
RGVVYNDLKPENVIATEDQVKLIDLGAVTGIGAFGYIYGTKGFQAPEVAT
HGPSISSDIFTIGRTLAALTMPLPVEDGVLAPGIPSPKNSPLLRRHLSFY
RLLQRATADDPQHRFRNVSELRTQLYGVLREILAV

Ligand information

• Ligand ID: MAP
• InChI: InChI=1S/C10H17N6O12P3.Mg.H/c11-8-5-9(13-2-12-8)16(3-14-5)10-7(18)6(17)4(27-10)1-26-31(24,25)28-30(22,23)15-29(19,20)21;;/h2-4,6-7,10,17-18H,1H2,(H,24,25)(H2,11,12,13)(H4,15,19,20,21,22,23);;/q;+1;/p-1/t4-,6-,7-,10-;;/m1../s1
• InChIKey: QTQJEIANUKJRTB-IDIVVRGQSA-M
• SMILES:
  OpenEye OEToolkits 2.0.7: c1nc(c2c(n1)n(cn2)[C@H]3[C@@H]([C@@H]([C@H](O3)CO[P@@](=O)(O[Mg])O[P@](=O)(NP(=O)(O)O)O)O)O)N
  OpenEye OEToolkits 2.0.7: c1nc(c2c(n1)n(cn2)C3C(C(C(O3)COP(=O)(O[Mg])OP(=O)(NP(=O)(O)O)O)O)O)N
  CACTVS 3.385: Nc1ncnc2n(cnc12)[CH]3O[CH](CO[P](=O)(O[Mg])O[P](O)(=O)N[P](O)(O)=O)[CH](O)[CH]3O
  CACTVS 3.385: Nc1ncnc2n(cnc12)[C@@H]3O[C@H](CO[P@@](=O)(O[Mg])O[P](O)(=O)N[P](O)(O)=O)[C@@H](O)[C@H]3O
• Formula: C10 H16 Mg N6 O12 P3
• Name: MAGNESIUM-5'-ADENYLY-IMIDO-TRIPHOSPHATE
• PDB chain: 7mxj Chain A Residue 502

Receptor-Ligand Complex Structure

Structure summary

• PDB: 7mxj A Tetratricopeptide Repeat Scaffold Couples Signal Detection to OdhI Phosphorylation in Metabolic Control by the Protein Kinase PknG.
• Resolution: 1.92 Å
• Binding residue (original residue number in PDB): A182 G184 G185 I189 K205 M253 Y255 V256 K303 E305
• Binding residue (residue number reindexed from 1): A43 G45 G46 I50 K66 M109 Y111 V112 K159 E161
• Annotation score: 1

Gene Ontology

Molecular Function

• GO:0004672 protein kinase activity
• GO:0005524 ATP binding

Biological Process

• GO:0006468 protein phosphorylation

External links

• PDB: RCSB:7mxj, PDBe:7mxj, PDBj:7mxj
• PDBsum: 7mxj
• PubMed: 34607462
• UniProt: Q8NM29