Structure of PDB 8d1d Chain C Binding Site BS01

Receptor Information
>8d1d Chain C (length=261) Species: 32630 (synthetic construct) [Search protein sequence] [Download receptor structure] [Download structure with residue number starting from 1] [View receptor structure]
GSHMRGPNPTAASLEASAGPFTVRSFTVSRPSGYGAGTVYYPTNAGGTVG
AIAIVPGYTATQSSIKWWGPRLASHGFVVITIDTNSTLDQPSSRSDQQMA
ALDQLASLNNDSSSPIYGKVDTSRMGVMGWSMGGGGSLISAANNPSLKAA
APMAPWSSSTNFSSVTVPTLIFACENDSIAPVNSHALPIYNSMSRNAKQF
LEINGGSHSCANSGNSNQALIGKKGVAWMKRFMDNDTRYSQFACENPNST
AVSDFRTANCS
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 chain8d1d Chain C Residue 301 [Download ligand structure] [Download structure with residue number starting from 1] [View ligand structure]
Receptor-Ligand Complex Structure
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PDB8d1d PROSS PETase
Resolution1.42 Å
Binding residue
(original residue number in PDB)		E204 N233
Binding residue
(residue number reindexed from 1)		E175 N204
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:8d1d, PDBe:8d1d, PDBj:8d1d
PDBsum8d1d
PubMed
UniProtA0A0K8P6T7|PETH_PISS1 Poly(ethylene terephthalate) hydrolase (Gene Name=ISF6_4831)

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