Structure of PDB 4bph Chain A Binding Site BS01

Receptor Information

>4bph Chain A (length=85) Species: 1423 (Bacillus subtilis)

MDFKQEVLDVLAEVCQDDIVKENPDIEIFEEGLLDSFGTVELLLAIENRF
DILVPITEFDRDVWNTPNNIVNQLSELKRSHHHHH

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: 4bph Chain A Residue 255

Receptor-Ligand Complex Structure

Structure summary

• PDB: 4bph High-Resolution Structures of the D-Alanyl Carrier Protein (Dcp) Dltc from Bacillus Subtilis Reveal Equivalent Conformations of Apo- and Holo-Forms
• Resolution: 1.8 Å
• Binding residue (original residue number in PDB): S36 F37
• Binding residue (residue number reindexed from 1): S36 F37
• Annotation score: 4

Enzymatic activity

• Enzyme Commision number: 6.1.1.13: D-alanine--poly(phosphoribitol) ligase.

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:4bph, PDBe:4bph, PDBj:4bph
• PDBsum: 4bph
• PubMed: 26193422
• UniProt: P39579|DLTC_BACSU D-alanyl carrier protein (Gene Name=dltC)