Structure of PDB 8aji Chain D Binding Site BS01

Receptor Information

>8aji Chain D (length=344) Species: 1590 (Lactiplantibacillus plantarum)

KAALKNSQLSRKINQTTFSNNKNTDEQVTKALNLSHFVGSALVVKNDHVI
YNRAFGYANKAKNQRNKVNSKYQILSIQKSMTAVGIMQLVQAGKVKLTDP
ISKYYPTLKHGRQTTLRQMLDMTTGFRLKSGSKEFLPENQVIDFAAHNVF
YYPDKNGIYNYSSVNFLLLAGIIRKVTGQSYQHFFTTHFIDKLNLNETGF
LIHGQGQDATTGYRALADQTLPNYDQTMPESKSQMANELGTGQVYMSTAD
LFTVESAILKGQLLSKKNVAILHTRTATGEYGGGVYNMSNGIRSHGLGYG
YESSIFLSPDGKTGVVLMSNYYRKAAGIQATANKIFTELMKGDI

Ligand information

• Ligand ID: TCE
• InChI: InChI=1S/C9H15O6P/c10-7(11)1-4-16(5-2-8(12)13)6-3-9(14)15/h1-6H2,(H,10,11)(H,12,13)(H,14,15)
• InChIKey: PZBFGYYEXUXCOF-UHFFFAOYSA-N
• SMILES:
  CACTVS 3.341: OC(=O)CCP(CCC(O)=O)CCC(O)=O
  OpenEye OEToolkits 1.5.0: C(CP(CCC(=O)O)CCC(=O)O)C(=O)O
  ACDLabs 10.04: O=C(O)CCP(CCC(=O)O)CCC(=O)O
• Formula: C9 H15 O6 P
• Name: 3,3',3''-phosphanetriyltripropanoic acid;
  3-[bis(2-carboxyethyl)phosphanyl]propanoic acid
• ChEMBL: CHEMBL171512
• ZINC: ZINC000002517013
• PDB chain: 8aji Chain D Residue 501

Receptor-Ligand Complex Structure

Structure summary

• PDB: 8aji Structure-function analysis of Lactiplantibacillus plantarum DltE& reveals D-alanylated lipoteichoic acids as direct cues supporting Drosophila juvenile growth.
• Resolution: 1.94 Å
• Binding residue (original residue number in PDB): S128 Y211 Y213 Y338 R345 H347 Q381
• Binding residue (residue number reindexed from 1): S76 Y159 Y161 Y286 R293 H295 Q329
• Annotation score: 1

Enzymatic activity

• Enzyme Commision number: 3.4.16.4: serine-type D-Ala-D-Ala carboxypeptidase.

Gene Ontology

Molecular Function

• GO:0004180 carboxypeptidase activity
• GO:0009002 serine-type D-Ala-D-Ala carboxypeptidase activity

External links

• PDB: RCSB:8aji, PDBe:8aji, PDBj:8aji
• PDBsum: 8aji
• PubMed: 37042660
• UniProt: A0A0P7JVD2