Structure of PDB 8h5m Chain A Binding Site BS01

Receptor Information
>8h5m Chain A (length=261) Species: 1547922 (Piscinibacter sakaiensis) [Search protein sequence] [Download receptor structure] [Download structure with residue number starting from 1] [View receptor structure]
SHMRGPNPTAASLEASAGPFTVRSFTVSRPSGYGAGTVYYPTNAGGTVGA
IAIVPGYTARQSSIKWWGPRLASHGFVVITIDTNSTLDQPESRSSQQMAA
LRQVASLNGTSSSPIYGKVDTARMGVMGWSMGGGGSLISAANNPSLKAAA
PQAPWHSSTNFSSVTVPTLIFACENDSIAPVNSSALPIYDSMSRNAKQFL
EICGGSHSCANTGNSDQALIGKKGVAWMKRFMDNDTRYSTFACENPNSTR
VCDFRTANCSL
Ligand information
Ligand IDMG
InChIInChI=1S/Mg/q+2
InChIKeyJLVVSXFLKOJNIY-UHFFFAOYSA-N
SMILES
SoftwareSMILES
ACDLabs 10.04
OpenEye OEToolkits 1.5.0		[Mg+2]
CACTVS 3.341[Mg++]
FormulaMg
NameMAGNESIUM ION
ChEMBL
DrugBankDB01378
ZINC
PDB chain8h5m Chain A Residue 401 [Download ligand structure] [Download structure with residue number starting from 1] [View ligand structure]
Receptor-Ligand Complex Structure
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PDB8h5m A case of balance engineering exhibits kinetic relationship between mesophilic and thermophilic poly(ethylene terephthalate) depolymerases.
Resolution1.89 Å
Binding residue
(original residue number in PDB)		Y87 S160 M161
Binding residue
(residue number reindexed from 1)		Y57 S130 M131
Annotation score1
Enzymatic activity
Enzyme Commision number 3.1.1.101: poly(ethylene terephthalate) hydrolase.
Gene Ontology
Molecular Function
GO:0008126 acetylesterase activity
GO:0016787 hydrolase activity
GO:0052689 carboxylic ester hydrolase activity
Biological Process
GO:0042178 xenobiotic catabolic process
Cellular Component
GO:0005576 extracellular region

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Molecular Function
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Biological Process
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Cellular Component
External links
PDB RCSB:8h5m, PDBe:8h5m, PDBj:8h5m
PDBsum8h5m
PubMed
UniProtA0A0K8P6T7|PETH_PISS1 Poly(ethylene terephthalate) hydrolase (Gene Name=ISF6_4831)

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