Structure of PDB 6ozw Chain A Binding Site BS02

Receptor Information

>6ozw Chain A (length=538) Species: 210007 (Streptococcus mutans UA159)

PKKNLVIVESPAKAKTIEKYLGRSYKVVASVGHIRDLKKSSMSIDFDNNY
EPQYINIRGKGPLINSLKKEAKNAKQIFLASDPDREGEAISWHLAHILDL
DLKGKNRVVFNEITKDAVKNAFVEPRQIDMDLVDAQQARRVLDRIVGYSI
SPILWKKVKKGLSAGRVQSVALKLIIDRENEIKAFKPEEYWSIDGFFKKG
NKKFQANFYGLDNKKTKLKSNDDVKKVLTRIKNDDFLVDKVEKKERKRNA
PLPYTTSSLQQDAANKINFRTRKTMMVAQQLYEGIRLGSNGQQGLITYMR
TDSTRISPVAQNDAANYITEHFGAEYSKAHEAIRPSNVNHTPESIAKYLD
KDQLKLYTLIWNRFVASQMTAAVFDTVKVNLTQNGVLFIANGSQIKFKGY
MAVYTKVLPEMIKGETVKKISANPEQHFTQPPARYSEASLIKTLEENGVG
RPSTYAPTLETIQKRYYVRLVSKRFEPTELGEIVNSLIIEFFPDIVDVKF
TAEMESKLDEVEIGKEEWQKVIDQFYKPFEKEVIKAEE

Ligand information

• Ligand ID: MG
• InChI: InChI=1S/Mg/q+2
• InChIKey: JLVVSXFLKOJNIY-UHFFFAOYSA-N
• SMILES:
  ACDLabs 10.04
  OpenEye OEToolkits 1.5.0: [Mg+2]
  CACTVS 3.341: [Mg++]
• Formula: Mg
• Name: MAGNESIUM ION
• DrugBank: DB01378
• PDB chain: 6ozw Chain A Residue 604

Receptor-Ligand Complex Structure

Structure summary

• PDB: 6ozw Crystal structure of the 65-kilodalton amino-terminal fragment of DNA topoisomerase I from the gram-positive model organism Streptococcus mutans.
• Resolution: 2.063 Å
• Binding residue (original residue number in PDB): I193 R196 E197
• Binding residue (residue number reindexed from 1): I175 R178 E179
• Annotation score: 4

Enzymatic activity

• Catalytic site (original residue number in PDB): E27 S28 D100 D102 Y316 R318
• Catalytic site (residue number reindexed from 1): E9 S10 D82 D84 Y298 R300
• Enzyme Commision number: 5.6.2.1: DNA topoisomerase.

Gene Ontology

Molecular Function

• GO:0003677 DNA binding
• GO:0003916 DNA topoisomerase activity
• GO:0003917 DNA topoisomerase type I (single strand cut, ATP-independent) activity

Biological Process

• GO:0006265 DNA topological change

External links

• PDB: RCSB:6ozw, PDBe:6ozw, PDBj:6ozw
• PDBsum: 6ozw
• PubMed: 31204053
• UniProt: Q8DUD3