Structure of PDB 5lui Chain A Binding Site BS01

Receptor Information
>5lui Chain A (length=264) Species: 144786 (Thermobifida cellulosilytica) [Search protein sequence] [Download receptor structure] [Download structure with residue number starting from 1] [View receptor structure]
ANPYERGPNPTDALLEASSGPFSVSEENVSRLSASGFGGGTIYYPRENNT
YGAVAISPGYTGTEASIAWLGERIASHGFVVITIDTITTLDQPDSRAEQL
NAALNHMINRASSTVRSRIDSSRLAVMGHSMGGGGTLRLASQRPDLKAAI
PLTPWHLNKNWSSVTVPTLIIGADLDTIAPVATHAKPFYNSLPSSISKAY
LELDGATHFAPNIPNKIIGKYSVAWLKRFVDNDTRYTQFLCPGPRDGLFG
EVEEYRSTCPFALE
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 chain5lui Chain A Residue 302 [Download ligand structure] [Download structure with residue number starting from 1] [View ligand structure]
Receptor-Ligand Complex Structure
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PDB5lui Small cause, large effect: Structural characterization of cutinases from Thermobifida cellulosilytica.
Resolution1.5 Å
Binding residue
(original residue number in PDB)		D175 D205 E254
Binding residue
(residue number reindexed from 1)		D174 D204 E253
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

View graph for
Molecular Function
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Cellular Component
External links
PDB RCSB:5lui, PDBe:5lui, PDBj:5lui
PDBsum5lui
PubMed28671263
UniProtE9LVH8|PETH1_THECS Cutinase 1 (Fragment) (Gene Name=cut1)

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