Structure of PDB 1uy3 Chain A Binding Site BS04

Receptor Information
>1uy3 Chain A (length=132) Species: 1510 (Thermoclostridium stercorarium) [Search protein sequence] [Download receptor structure] [Download structure with residue number starting from 1] [View receptor structure]
SPIRRDAFSIIEAEEYNSTNSSTLQVIGTPNNGRGIGYIENGNTVTYSNI
DFGSGATGFSATVATEVNTSIQIRSDSPTGTLLGTLYVSSTGSWNTYNTV
STNISKITGVHDIVLVFSGPVNVDNFIFSRSS
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 chain1uy3 Chain A Residue 1147 [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]
PDB1uy3 Binding Sub-Site Dissection of a Carbohydrate-Binding Module Reveals the Contribution of Entropy to Oligosaccharide Recognition at "Non-Primary" Binding Subsites.
Resolution1.89 Å
Binding residue
(original residue number in PDB)		E25 E27 R47 D137
Binding residue
(residue number reindexed from 1)		E12 E14 R34 D124
Annotation score4
Enzymatic activity
Enzyme Commision number 3.2.1.8: endo-1,4-beta-xylanase.
Gene Ontology
Molecular Function
GO:0030246 carbohydrate binding

View graph for
Molecular Function
External links
PDB RCSB:1uy3, PDBe:1uy3, PDBj:1uy3
PDBsum1uy3
PubMed15223327
UniProtQ8GJ44|XYNA1_THEST Endo-1,4-beta-xylanase A (Gene Name=xynA)

[Back to BioLiP]