Structure of PDB 7vve Chain A Binding Site BS02

Receptor Information
>7vve Chain A (length=258) Species: 2725 (unidentified prokaryotic organism) [Search protein sequence] [Download receptor structure] [Download structure with residue number starting from 1] [View receptor structure]
SNPYQRGPNPTRSALTADGPFSVATYTVSRLSVSGFGGGVIYYPTGTSLT
FGGIAMSPGYTADASSLAWLGRRLASHGFVVLVINTNSRFDGPDSRASQL
SAALNYLRTSSPSAVRARLDANRLAVAGHAMGGGGTLRIAEQNPSLKAAV
PLTPWHTDKTFNTSVPVLIVGAEADTVAPVSQHAIPFYQNLPSTTPKVYV
ELCNASHIAPNSNNAAISVYTISWMKLWVDNDTRYRQFLCNVNDPALCDF
RTNNRHCQ
Ligand information
Ligand IDC9C
InChIInChI=1S/C10H10O5/c11-5-6-15-10(14)8-3-1-7(2-4-8)9(12)13/h1-4,11H,5-6H2,(H,12,13)
InChIKeyBCBHDSLDGBIFIX-UHFFFAOYSA-N
SMILES
SoftwareSMILES
OpenEye OEToolkits 2.0.6c1cc(ccc1C(=O)O)C(=O)OCCO
CACTVS 3.385OCCOC(=O)c1ccc(cc1)C(O)=O
FormulaC10 H10 O5
Name4-(2-hydroxyethyloxycarbonyl)benzoic acid;
monohydroxyethyl terephthalate
ChEMBL
DrugBank
ZINCZINC000004979133
PDB chain7vve Chain A Residue 402 [Download ligand structure] [Download structure with residue number starting from 1] [View ligand structure]
Receptor-Ligand Complex Structure
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PDB7vve Substrate-Binding Mode of a Thermophilic PET Hydrolase and Engineering the Enzyme to Enhance the Hydrolytic Efficacy.
Resolution1.98 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 score5
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

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Molecular Function
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Cellular Component
External links
PDB RCSB:7vve, PDBe:7vve, PDBj:7vve
PDBsum7vve
PubMed
UniProtG9BY57|PETH_UNKP Leaf-branch compost cutinase

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