Structure of PDB 8xho Chain B Binding Site BS02

Receptor Information
>8xho Chain B (length=262) Species: 1122192 (Marinactinospora thermotolerans DSM 45154) [Search protein sequence] [Download receptor structure] [Download structure with residue number starting from 1] [View receptor structure]
SNPYERGPAPTESSVTAVRGYFDTDTDTVSSLVSGFGGGTIYYPTDTSEG
TFGGVVIAPGYTASQSSMAWMGHRIASQGFVVFTIDTITRYDQPDSRGRQ
IEAALDYLVEDSDVADRVDGNRLAVMGHCMGGGGTLAAAENRPELRAAIP
LTPWHLQKNWSDVEVPTMIIGAENDTVASVRTHSIPFYESLDEDLERAYL
ELDGASHFAPNISNTVIAKYSISWLKRFVDEDERYEQFLCPPPDTGLFSD
FSDYRDSCPHTT
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 chain8xho Chain B Residue 402 [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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PDB8xho Deep sea bacterial PET plastic hydrolase MtCut with mutation S178C
Resolution2.5 Å
Binding residue
(original residue number in PDB)		E245 S306 P308
Binding residue
(residue number reindexed from 1)		E196 S257 P259
Annotation score1
Enzymatic activity
Enzyme Commision number 3.1.1.101: poly(ethylene terephthalate) hydrolase.
3.1.1.74: cutinase.
Gene Ontology
Molecular Function
GO:0016787 hydrolase activity

View graph for
Molecular Function
External links
PDB RCSB:8xho, PDBe:8xho, PDBj:8xho
PDBsum8xho
PubMed
UniProtA0A1T4KK94

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