Structure of PDB 8jmo Chain A Binding Site BS02

Receptor Information

>8jmo Chain A (length=258) Species: 2725 (unidentified prokaryotic organism)

SNPYQRGPNPTRSALTADGPFSVATYTVSRLSVSGFGGGVIYYPTGTSLT
FGGIAMSPGYTADASSLAWLGRRLASHGFVVLVINTNSRFDGPDSRASQL
SAALNYLRTSSPSAVRARLDANRLAVAGHAMGGGGTLRIAEQNPSLKAAV
PLTPWHTDKTFNTSVPVLIVGAEADTVAPVSQHAIPFYQNLPSTTPKVYV
ELCNASHIAPNSNNAAISVYTISWMKLWVDNDTRYRQFLCNVNDPALCDF
RTNNRHCQ

Ligand information

• Ligand ID: E7J
• InChI: InChI=1S/C12H14O5/c13-7-1-2-8-17-12(16)10-5-3-9(4-6-10)11(14)15/h3-6,13H,1-2,7-8H2,(H,14,15)
• InChIKey: QOBMQTZOKFYGNH-UHFFFAOYSA-N
• SMILES:
  CACTVS 3.385: OCCCCOC(=O)c1ccc(cc1)C(O)=O
  OpenEye OEToolkits 2.0.7: c1cc(ccc1C(=O)O)C(=O)OCCCCO
• Formula: C12 H14 O5
• Name: 4-(4-oxidanylbutoxycarbonyl)benzoic acid
• ZINC: ZINC000082104103
• PDB chain: 8jmo Chain A Residue 402

Receptor-Ligand Complex Structure

Structure summary

• PDB: 8jmo Remodeling the polymer-binding cavity to improve the efficacy of PBAT-degrading enzyme.
• Resolution: 1.95 Å
• Binding residue (original residue number in PDB): G94 Y95 A165 M166 W190 V212 H242
• Binding residue (residue number reindexed from 1): G59 Y60 A130 M131 W155 V177 H207
• Annotation score: 3

Enzymatic activity

• Enzyme Commision number: 3.1.1.101: poly(ethylene terephthalate) hydrolase.
  3.1.1.74: cutinase.

Gene Ontology

Molecular Function

• GO:0008126 acetylesterase activity
• GO:0016787 hydrolase activity
• GO:0050525 cutinase activity
• GO:0052689 carboxylic ester hydrolase activity

Cellular Component

• GO:0005576 extracellular region

External links

• PDB: RCSB:8jmo, PDBe:8jmo, PDBj:8jmo
• PDBsum: 8jmo
• PubMed: 37979420
• UniProt: G9BY57|PETH_UNKP Leaf-branch compost cutinase