Structure of PDB 8rh3 Chain B Binding Site BS02

Receptor Information

>8rh3 Chain B (length=153) Species: 251229 (Chroococcidiopsis thermalis PCC 7203)

KRKIIYLASPYGFSQQQKTLLLPPIVRALEALGIEVWEPFARNNQIDFSQ
ADWAYRVAQADLQDVKNCDGIFAVVNGTPPDEGVMVELGMAIALNKAIFL
FRDDFRRCSDNERYPLNLMLFAGLPEIGWENYYYTSVDEIQSHDKALYKW
LTG

Ligand information

• Ligand ID: A1H0F
• InChI: InChI=1S/C5H8F2O3/c6-5(7)2-10-3(1-8)4(5)9/h3-4,8-9H,1-2H2/t3-,4-/m1/s1
• InChIKey: XLFTWOXMFCMHBS-QWWZWVQMSA-N
• SMILES:
  OpenEye OEToolkits 2.0.7: C1C([C@@H]([C@H](O1)CO)O)(F)F
  CACTVS 3.385: OC[C@H]1OCC(F)(F)[C@@H]1O
  OpenEye OEToolkits 2.0.7: C1C(C(C(O1)CO)O)(F)F
  CACTVS 3.385: OC[CH]1OCC(F)(F)[CH]1O
• Formula: C5 H8 F2 O3
• Name: (2~{R},3~{R})-4,4-bis(fluoranyl)-2-(hydroxymethyl)oxolan-3-ol
• PDB chain: 8rh3 Chain B Residue 201

Receptor-Ligand Complex Structure

Structure summary

• PDB: 8rh3 Snapshots of the Reaction Coordinate of a Thermophilic 2'-Deoxyribonucleoside/ribonucleoside Transferase
• Resolution: 1.96 Å
• Binding residue (original residue number in PDB): Y7 P40 D62 E88
• Binding residue (residue number reindexed from 1): Y6 P39 D61 E87
• Annotation score: 1

Gene Ontology

Molecular Function

• GO:0016740 transferase activity
• GO:0046872 metal ion binding
• GO:0070694 deoxyribonucleoside 5'-monophosphate N-glycosidase activity

Biological Process

• GO:0009159 deoxyribonucleoside monophosphate catabolic process

External links

• PDB: RCSB:8rh3, PDBe:8rh3, PDBj:8rh3
• PDBsum: 8rh3
• PubMed: 38449528
• UniProt: K9TVX3