Structure of PDB 8oql Chain D Binding Site BS02

Receptor Information

>8oql Chain D (length=398) Species: 83332 (Mycobacterium tuberculosis H37Rv)

SEEAFIYEAIRTPRGKQKNGSLHEVKPLSLVVGLIDELRKRHPDLDENLI
SDVILGCVSPVGDQGGDIARAAVLASGMPVTSGGVQLNRFCASGLEAVNT
AAQKVRSGWDDLVLAGGVESMSRVPMGSDGGAMGLDPATNYDVMFVPQSI
GADLIATIEGFSREDVDAYALRSQQKAAEAWSGGYFAKSVVPVRDQNGLL
ILDHDEHMRPDTTKEGLAKLKPAFALGGFDDVALQKYHWVEKINHVHTGG
NSSGIVDGAALVMIGSAAAGKLQGLTPRARIVATATSGADPVIMLTGPTP
ATRKVLDRAGLTVDDIDLFELNEAFASVVLKFQKDLNIPDEKLNVNGGAI
AMGHPLGATGAMILGTMVDELERRNARRALITLCIGGGMGVATIIERV

Ligand information

• Ligand ID: A9J
• InChI: InChI=1S/F6P/c1-7(2,3,4,5)6
• InChIKey: WBPJDOUFWQVMRN-UHFFFAOYSA-N
• SMILES:
  OpenEye OEToolkits 2.0.6: FP(F)(F)(F)(F)F
  CACTVS 3.385: F[P](F)(F)(F)(F)F
• Formula: F6 P
• Name: Hexafluorophosphate anion
• PDB chain: 8oql Chain D Residue 509

Receptor-Ligand Complex Structure

Structure summary

• PDB: 8oql Substrate specificity and conformational flexibility properties of the Mycobacterium tuberculosis beta-oxidation trifunctional enzyme.
• Resolution: 2.7 Å
• Binding residue (original residue number in PDB): E9 H43 L46 M268 L280
• Binding residue (residue number reindexed from 1): E8 H42 L45 M263 L275
• Annotation score: 1

Enzymatic activity

• Enzyme Commision number: 2.3.1.-

Gene Ontology

Molecular Function

• GO:0016746 acyltransferase activity
• GO:0016747 acyltransferase activity, transferring groups other than amino-acyl groups

Cellular Component

• GO:0005886 plasma membrane
• GO:0009274 peptidoglycan-based cell wall

External links

• PDB: RCSB:8oql, PDBe:8oql, PDBj:8oql
• PDBsum: 8oql
• PubMed: 39012716
• UniProt: O53871|Y0859_MYCTU Putative acyltransferase Rv0859 (Gene Name=fadA)