Structure of PDB 7mdi Chain E Binding Site BS01

Receptor Information

>7mdi Chain E (length=353) Species: 242231 (Neisseria gonorrhoeae FA 1090)

LYFQMSYSTFPKTKNDALKEPMFFGQPVNVARYDQQKYEVFEKLIEKQLS
FFWRPEEIDVSRDRIDYANLPEHEKHIFISNLKYQTLLDSIQGRSPNVAL
LPLVSIPELETWVETWSFSETIHSRSYTHIIRNIVNDPSVVFDDIVENEY
ITARAEDIACYYDDLIEYTQYYNLLGEGVHNVGGKPVTVSLRGLKKKLYL
CLMCVNVLEAIRFYVSFACSFAFAERELMEGNAKIIKDIARDEALHLTGT
QHMLNLMRSGVDDPEMAEIAAELQDECFQLFKKAAEQEKEWAAYLFKDGS
MIGLNKEILSQYVEYITNLRMQAVGLPAGFEGANQNPIPWINAWLSSDNV
DFE

Ligand information

• Ligand ID: FEO
• InChI: InChI=1S/2Fe.O
• InChIKey: NPMYUMBHPJGBFA-UHFFFAOYSA-N
• SMILES:
  CACTVS 3.341: [Fe]O[Fe]
  OpenEye OEToolkits 1.5.0: O([Fe])[Fe]
• Formula: Fe2 O
• Name: MU-OXO-DIIRON
• PDB chain: 7mdi Chain E Residue 501

Receptor-Ligand Complex Structure

Structure summary

• PDB: 7mdi Effects of chameleon dispense-to-plunge speed on particle concentration, complex formation, and final resolution: A case study using the Neisseria gonorrhoeae ribonucleotide reductase inactive complex.
• Resolution: 4.3 Å
• Binding residue (original residue number in PDB): D85 E116 H119 E239 H242
• Binding residue (residue number reindexed from 1): D89 E120 H123 E243 H246
• Annotation score: 1

Enzymatic activity

• Enzyme Commision number: 1.17.4.1: ribonucleoside-diphosphate reductase.

Gene Ontology

Molecular Function

• GO:0004748 ribonucleoside-diphosphate reductase activity, thioredoxin disulfide as acceptor
• GO:0016491 oxidoreductase activity

Biological Process

• GO:0009263 deoxyribonucleotide biosynthetic process

External links

• PDB: RCSB:7mdi, PDBe:7mdi, PDBj:7mdi
• PDBsum: 7mdi
• PubMed: 34906669
• UniProt: Q5F8Z5