Structure of PDB 4co4 Chain C Binding Site BS04

Receptor Information

>4co4 Chain C (length=90) Species: 192 (Azospirillum brasilense)

MKLVMAIIKPFKLDEVREALTSLGIQGLTVSEVKGFFLPKVKVEVAVSDD
QYEQVVEAIQKAANTGRIGDGKIFVLDIAQAVRIRTGETN

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: 4co4 Chain C Residue 120

Receptor-Ligand Complex Structure

Structure summary

• PDB: 4co4 Structure and Thermodynamics of Effector Molecule Binding to the Nitrogen Signal Transduction Pii Protein Glnz from Azospirillum Brasilense.
• Resolution: 1.5 Å
• Binding residue (original residue number in PDB): I7 G35 K58 G87 D88 G89 K90
• Binding residue (residue number reindexed from 1): I7 G35 K40 G69 D70 G71 K72
• Annotation score: 4

Gene Ontology

Molecular Function

• GO:0005524 ATP binding
• GO:0030234 enzyme regulator activity
• GO:0046872 metal ion binding

Biological Process

• GO:0006808 regulation of nitrogen utilization

Cellular Component

• GO:0005829 cytosol

External links

• PDB: RCSB:4co4, PDBe:4co4, PDBj:4co4
• PDBsum: 4co4
• PubMed: 24846646
• UniProt: P70731