Structure of PDB 4kc8 Chain A Binding Site BS01

Receptor Information
>4kc8 Chain A (length=449) Species: 390874 (Thermotoga petrophila RKU-1) [Search protein sequence] [Download receptor structure] [Download structure with residue number starting from 1] [View receptor structure]
QPTFRWAVVHDPSIIKVGNMYYVFGTHLQVAKSKDLMHWEQINTSAHDKN
PIIPNINEELKETLSWARTRNDIWAPQVIQLSDGRYYMYYCASTFGSPRS
AIGIAVSDDIEGPYKHYAVIVKSGQVYSVDGPSEDGTPYDSRKHPNALDP
GVFYDKEGNLWMVYGSWFGGIYILKLDPNTGLPLPGQGYGKRLVGGNHSS
MEGPYILYSPDTDYYYLFLSFGGLDYRGGYNIRVARSKNPNGPYYDPEGK
SMENCMGSKTVISNYGAKLVGNFILSESNTIDFKAFGYVSPGHNSAYYDP
ETGKYFIFFHTRFPGRGETYQLRVHQLFLNEDGWFVMAPFPYGGETVSKL
PNEEIVGEYQFINHGKEITDKIKQPVRIKLNSDGSITGAVEGRWERKEHY
ITLKIIEGNTTVIYKGVLLKQWHYSEKKWVTVFTALSNQGVSVWGIRVE
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 chain4kc8 Chain A Residue 502 [Download ligand structure] [Download structure with residue number starting from 1] [View ligand structure]
Receptor-Ligand Complex Structure
Global viewLocal viewStructure summary

[Spin on] [Spin off] [Reset]
[High quality] [Low quality]
[White background] [Black background]
[Spin on] [Spin off] [Reset]
[High quality] [Low quality]
[White background] [Black background]
PDB4kc8 Mechanistic strategies for catalysis adopted by evolutionary distinct family 43 arabinanases.
Resolution1.76 Å
Binding residue
(original residue number in PDB)		A96 D170 P171
Binding residue
(residue number reindexed from 1)		A75 D149 P150
Annotation score4
Enzymatic activity
Enzyme Commision number 3.2.1.99: arabinan endo-1,5-alpha-L-arabinosidase.
Gene Ontology
Molecular Function
GO:0004553 hydrolase activity, hydrolyzing O-glycosyl compounds
GO:0016798 hydrolase activity, acting on glycosyl bonds
GO:0046558 arabinan endo-1,5-alpha-L-arabinosidase activity
GO:0046872 metal ion binding
Biological Process
GO:0005975 carbohydrate metabolic process
GO:0031222 arabinan catabolic process
Cellular Component
GO:0005576 extracellular region

View graph for
Molecular Function
View graph for
Biological Process
View graph for
Cellular Component
External links
PDB RCSB:4kc8, PDBe:4kc8, PDBj:4kc8
PDBsum4kc8
PubMed24469445
UniProtA5IKD4|EABN_THEP1 Extracellular endo-alpha-(1->5)-L-arabinanase (Gene Name=Tpet_0637)

[Back to BioLiP]