Structure of PDB 5luk Chain A Binding Site BS01

Receptor Information
>5luk Chain A (length=263) Species: 144786 (Thermobifida cellulosilytica) [Search protein sequence] [Download receptor structure] [Download structure with residue number starting from 1] [View receptor structure]
ANPYERGPNPTDALLEARSGPFSVSEENVSRFGADGFGGGTIYYPRENNT
YGAVAISPGYTGTQASVAWLGERIASHGFVVITIDTNTTLDQPDSRARQL
NAALDYMINDASSAVRSRIDSSRLAVMGHSMGGGGTLRLASQRPDLKAAI
PLTPWHLNKNWSSVRVPTLIIGADLDTIAPVLTHARPFYNSLPTSISKAY
LELDGATHFAPNIPNKIIGKYSVAWLKRFVDNDTRYTQFLCPGPRDGLFG
EVEEYRSTCPFAL
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 chain5luk Chain A Residue 305 [Download ligand structure] [Download structure with residue number starting from 1] [View ligand structure]
Receptor-Ligand Complex Structure
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PDB5luk Small cause, large effect: Structural characterization of cutinases from Thermobifida cellulosilytica.
Resolution1.45 Å
Binding residue
(original residue number in PDB)		R32 A35 F38
Binding residue
(residue number reindexed from 1)		R31 A34 F37
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:0050525 cutinase activity
GO:0052689 carboxylic ester hydrolase activity
Cellular Component
GO:0005576 extracellular region
GO:0042597 periplasmic space

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Molecular Function
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Cellular Component
External links
PDB RCSB:5luk, PDBe:5luk, PDBj:5luk
PDBsum5luk
PubMed28671263
UniProtE9LVH9|PETH2_THECS Cutinase 2 (Fragment) (Gene Name=cut2)

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