Structure of PDB 6hvn Chain A Binding Site BS01

Receptor Information

>6hvn Chain A (length=175) Species: 169963 (Listeria monocytogenes EGD-e)

GPLGSYGSRIEREQHHLIESIEKSTQYMAKRRIGALISVARDTGMDDYIE
TGIPLNAKISSQLLINIFIPNTPLHDGAVIIKGNEIASAASALPLSDSPF
LSKELGTRHRAALGISEVTDSITIVVSEETGGISLTKGGELFRDVSEEEL
HKILLKELVTVTAKKPSIFSKWKGG

Ligand information

• Ligand ID: GLC
• InChI: InChI=1S/C6H12O6/c7-1-2-3(8)4(9)5(10)6(11)12-2/h2-11H,1H2/t2-,3-,4+,5-,6+/m1/s1
• InChIKey: WQZGKKKJIJFFOK-DVKNGEFBSA-N
• SMILES:
  OpenEye OEToolkits 1.5.0: C(C1C(C(C(C(O1)O)O)O)O)O
  OpenEye OEToolkits 1.5.0: C([C@@H]1[C@H]([C@@H]([C@H]([C@H](O1)O)O)O)O)O
  CACTVS 3.341: OC[CH]1O[CH](O)[CH](O)[CH](O)[CH]1O
  CACTVS 3.341: OC[C@H]1O[C@H](O)[C@H](O)[C@@H](O)[C@@H]1O
  ACDLabs 10.04: OC1C(O)C(OC(O)C1O)CO
• Formula: C6 H12 O6
• Name: alpha-D-glucopyranose;
  alpha-D-glucose;
  D-glucose;
  glucose
• ChEMBL: CHEMBL423707
• ZINC: ZINC000003861213
• PDB chain: 6hvn Chain C Residue 1

Receptor-Ligand Complex Structure

Structure summary

• PDB: 6hvn Crystal structures of the c-di-AMP-synthesizing enzyme CdaA.
• Resolution: 2.234 Å
• Binding residue (original residue number in PDB): D37 L153 T155
• Binding residue (residue number reindexed from 1): D42 L158 T160
• Annotation score: 1

Enzymatic activity

• Enzyme Commision number: 2.7.7.85: diadenylate cyclase.

Gene Ontology

Molecular Function

• GO:0004016 adenylate cyclase activity

Biological Process

• GO:0006171 cAMP biosynthetic process

External links

• PDB: RCSB:6hvn, PDBe:6hvn, PDBj:6hvn
• PDBsum: 6hvn
• PubMed: 31118276
• UniProt: Q8Y5E4|DACA_LISMO Diadenylate cyclase (Gene Name=dacA)