Structure of PDB 4yvz Chain A Binding Site BS01

Receptor Information

>4yvz Chain A (length=349) Species: 2336 (Thermotoga maritima)

VPQELIEKIKLISPGTELRKALDDIINANFGALIFLVDDPKKYEDVIQGG
FWLDTDFSAEKLYELSKMDGAIVLSEDITKIYYANVHLVPDPTIPTGETG
TRHRTAERLAKQTGKVVIAVSRRRNIISLYYKNYKYVVNQVDFLISKVTQ
AISTLEKYKDNFNKLLSELEVLELENRVTLADVVRTLAKGFELLRIVEEI
RPYIVELGEEGRLARMQLRELTEDVDDLLVLLIMDYSSEEVEEETAQNIL
QDFITRREPSPISISRVLGYDVQQAAQLDDVLVSARGYRLLKTVARIPLS
IGYNVVRMFKTLDQISKASVEDLKKVEGIGEKRARAISESISSLKHRKT

Ligand information

• Ligand ID: MN
• InChI: InChI=1S/Mn/q+2
• InChIKey: WAEMQWOKJMHJLA-UHFFFAOYSA-N
• SMILES:
  ACDLabs 10.04
  OpenEye OEToolkits 1.5.0: [Mn+2]
  CACTVS 3.341: [Mn++]
• Formula: Mn
• Name: MANGANESE (II) ION
• DrugBank: DB06757
• PDB chain: 4yvz Chain A Residue 402

Receptor-Ligand Complex Structure

Structure summary

• PDB: 4yvz Structural analysis of the diadenylate cyclase reaction of DNA-integrity scanning protein A (DisA) and its inhibition by 3'-dATP.
• Resolution: 2.495 Å
• Binding residue (original residue number in PDB): E229 D232 D233
• Binding residue (residue number reindexed from 1): E223 D226 D227
• Annotation score: 1

Enzymatic activity

• Enzyme Commision number: 2.7.7.85: diadenylate cyclase.

Gene Ontology

Molecular Function

• GO:0003677 DNA binding
• GO:0004016 adenylate cyclase activity
• GO:0005524 ATP binding
• GO:0016779 nucleotidyltransferase activity
• GO:0106408 diadenylate cyclase activity

Biological Process

• GO:0006281 DNA repair

External links

• PDB: RCSB:4yvz, PDBe:4yvz, PDBj:4yvz
• PDBsum: 4yvz
• PubMed: 26014055
• UniProt: Q9WY43|DISA_THEMA DNA integrity scanning protein DisA (Gene Name=disA)