Structure of PDB 8qrj Chain A Binding Site BS01

Receptor Information
>8qrj Chain A (length=257) Species: 2725 (unidentified prokaryotic organism) [Search protein sequence] [Download receptor structure] [Download structure with residue number starting from 1] [View receptor structure]
SNPYQRGPNPTRSALTADGPFSVATYTVSRLSVSGFGGGVIYYPTGTSLT
FGGIAMSPGYTADASSLAWLGRRLASHGFVVLVINTNSRFDGPDSRASQL
SAALNYLRTSSPSAVRARLDANRLAVAGHSMGGGGTLRIAEQNPSLKAAV
PLTPWHTDKTFNTSVPVLIVGAEADTVAPVSQYAIPFYQNLPSTTPKVYV
ELCNASHIAPNSNNAAISVYTISWMKLWVDNDTRYRQFLCNVNDPALCDF
RTNNRHC
Ligand information
Ligand IDCA
InChIInChI=1S/Ca/q+2
InChIKeyBHPQYMZQTOCNFJ-UHFFFAOYSA-N
SMILES
SoftwareSMILES
CACTVS 3.341[Ca++]
ACDLabs 10.04
OpenEye OEToolkits 1.5.0		[Ca+2]
FormulaCa
NameCALCIUM ION
ChEMBL
DrugBankDB14577
ZINC
PDB chain8qrj Chain A Residue 303 [Download ligand structure] [Download structure with residue number starting from 1] [View ligand structure]
Receptor-Ligand Complex Structure
Global viewLocal viewStructure summary

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PDB8qrj Streamlined screening of extracellularly expressed PETase libraries for improved polyethylene terephthalate degradation.
Resolution1.42 Å
Binding residue
(original residue number in PDB)		R65 V68 F71
Binding residue
(residue number reindexed from 1)		R30 V33 F36
Annotation score1
External links
PDB RCSB:8qrj, PDBe:8qrj, PDBj:8qrj
PDBsum8qrj
PubMed38987219
UniProtG9BY57|PETH_UNKP Leaf-branch compost cutinase

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