Structure of PDB 5lul Chain A Binding Site BS01

Receptor Information
>5lul Chain A (length=262) Species: 144786 (Thermobifida cellulosilytica) [Search protein sequence] [Download receptor structure] [Download structure with residue number starting from 1] [View receptor structure]
ANPYERGPNPTDALLEASSGPFSVSEENVSRFGADGFGGGTIYYPRENNT
YGAVAISPGYTGTQASVAWLGERIASHGFVVITIDTNTTLDQPDSRARQL
NAALDYMINDASSAVRSRIDSSRLAVMGHSMGGGGTLRLASQRPDLKAAI
PLTPWHLNKNWSSVRVPTLIIGADLDTIAPVLTHARPFYNSLPTSISKAY
LELDGATHFAPNIPNKIIGKYSVAWLKRFVDNDTRYTQFLCPGPRDGLFG
EVEEYRSTCPFA
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 chain5lul Chain A Residue 301 [Download ligand structure] [Download structure with residue number starting from 1] [View ligand structure]
Receptor-Ligand Complex Structure
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PDB5lul Small cause, large effect: Structural characterization of cutinases from Thermobifida cellulosilytica.
Resolution1.9 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:5lul, PDBe:5lul, PDBj:5lul
PDBsum5lul
PubMed28671263
UniProtE9LVH9|PETH2_THECS Cutinase 2 (Fragment) (Gene Name=cut2)

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