Structure of PDB 8dq3 Chain C Binding Site BS01

Receptor Information

>8dq3 Chain C (length=296) Species: 714 (Aggregatibacter actinomycetemcomitans)

RSLFTPRFEIKPYEYPELLEFKDAIRHSYWLHTEFNFTGDIQDFRTHISD
VERAVITKTMLAISQIEVSVKRFWGNLYNYFPKPEIEDVGGSFLESEIRH
KDAYSFLLEKLGLNEMFRNVRQYKAIMARIEYMEAFMRKKDVSQQDFVLS
LVMFSLFVEHISLFSQFVIMMSFNKHKNLFKGISNAVEATSKEEEIHGRF
GISLYHLLREEQPELFTDEFYAELKELAEQAFNAEKAILDWIFEDGELSF
LSKATVENYIANRYNNSLVTLGLEPIYNISPAQLKETEWFDIEILS

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: 8dq3 Chain C Residue 401

Receptor-Ligand Complex Structure

Structure summary

• PDB: 8dq3 X-ray crystal structure of Aggregatibacter actinomycetemcomitans dimanganese(II) class Id ribonucleotide reductase beta subunit
• Resolution: 1.67 Å
• Binding residue (original residue number in PDB): E103 E165 E200 H203
• Binding residue (residue number reindexed from 1): E97 E159 E194 H197
• 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
• GO:0046872 metal ion binding

Biological Process

• GO:0009263 deoxyribonucleotide biosynthetic process

Cellular Component

• GO:0016020 membrane

External links

• PDB: RCSB:8dq3, PDBe:8dq3, PDBj:8dq3
• PDBsum: 8dq3
• UniProt: A0A142G3G1