Structure of PDB 7r49 Chain H Binding Site BS01

Receptor Information

>7r49 Chain H (length=77) Species: 1036177 (Lactiplantibacillus plantarum subsp. plantarum NC8)

DDTKATVLSILADLTGEDVSSNMDVNLFDEGILDSMGSVQLLLELQNQLG
IEVPVSEFQRSEWDTPAKIVAKVENLQ

Ligand information

• Ligand ID: PNS
• InChI: InChI=1S/C11H23N2O7PS/c1-11(2,7-20-21(17,18)19)9(15)10(16)13-4-3-8(14)12-5-6-22/h9,15,22H,3-7H2,1-2H3,(H,12,14)(H,13,16)(H2,17,18,19)/t9-/m0/s1
• InChIKey: JDMUPRLRUUMCTL-VIFPVBQESA-N
• SMILES:
  CACTVS 3.341: CC(C)(CO[P](O)(O)=O)[C@@H](O)C(=O)NCCC(=O)NCCS
  ACDLabs 10.04: O=C(NCCS)CCNC(=O)C(O)C(C)(C)COP(=O)(O)O
  OpenEye OEToolkits 1.5.0: CC(C)(COP(=O)(O)O)C(C(=O)NCCC(=O)NCCS)O
  OpenEye OEToolkits 1.5.0: CC(C)(COP(=O)(O)O)[C@H](C(=O)NCCC(=O)NCCS)O
  CACTVS 3.341: CC(C)(CO[P](O)(O)=O)[CH](O)C(=O)NCCC(=O)NCCS
• Formula: C11 H23 N2 O7 P S
• Name: 4'-PHOSPHOPANTETHEINE
• DrugBank: DB03912
• PDB chain: 7r49 Chain H Residue 101

Receptor-Ligand Complex Structure

Structure summary

• PDB: 7r49 DltC acts as an interaction hub for AcpS, DltA and DltB in the teichoic acid D-alanylation pathway of Lactiplantibacillus plantarum.
• Resolution: 1.88 Å
• Binding residue (original residue number in PDB): D37 S38
• Binding residue (residue number reindexed from 1): D34 S35
• Annotation score: 4

Gene Ontology

Molecular Function

• GO:0036370 D-alanyl carrier activity

Biological Process

• GO:0019350 teichoic acid biosynthetic process
• GO:0070395 lipoteichoic acid biosynthetic process
• GO:0070400 teichoic acid D-alanylation
• GO:0071555 cell wall organization

Cellular Component

• GO:0005737 cytoplasm

External links

• PDB: RCSB:7r49, PDBe:7r49, PDBj:7r49
• PDBsum: 7r49
• PubMed: 35907949
• UniProt: Q88VM8|DLTC1_LACPL D-alanyl carrier protein 1 (Gene Name=dltC1)