Structure of PDB 1axk Chain A Binding Site BS01

Receptor Information
>1axk Chain A (length=393) Species: 44252,224308 [Search protein sequence] [Download receptor structure] [Download structure with residue number starting from 1] [View receptor structure]
FDCAEYRSTNIYGYGLYEVSMKPAKNTGIVSSFFTYTGPAHGTQWDEIDI
EFLGKDTTKVQFNYYTNGVGGHEKVISLGFDASKGFHTYAFDWQPGYIKW
YVDGVLKHTATANIPSTPGKIMMNLWNGTGVDDWLGSYNGANPLYAEYDW
VKYTSNASTDYWQNWTDGGGIVNAVNGSGGNYSVNWSNTGNFVVGKGWTT
GSPFRTINYNAGVWAPNGNGYLTLYGWTRSPLIEYYVVDSWGTYRPTGTY
KGTVKSDGGTYDIYTTTRYNAPSIDGDRTTFTQYWSVRQSKRPTGSNATI
TFSNHVNAWKSHGMNLGSNWAYQVMATEGYQSSGSSNVTVWGSVFWEPKS
YFNPSTWEKADGYSNGGVFNCTWRANNVNFTNDGKLKLGLTSS
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 chain1axk Chain A Residue 395 [Download ligand structure] [Download structure with residue number starting from 1] [View ligand structure]
Receptor-Ligand Complex Structure
Global viewLocal viewStructure summary

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PDB1axk Structure and function of the Bacillus hybrid enzyme GluXyn-1: native-like jellyroll fold preserved after insertion of autonomous globular domain.
Resolution2.1 Å
Binding residue
(original residue number in PDB)		D149 P348 K349 G384
Binding residue
(residue number reindexed from 1)		D149 P348 K349 G384
Annotation score4
Enzymatic activity
Catalytic site (original residue number in PDB) E47 D49 E51 N191 Y225 E234 Y236 E328
Catalytic site (residue number reindexed from 1) E47 D49 E51 N191 Y225 E234 Y236 E328
Enzyme Commision number 3.2.1.73: licheninase.
3.2.1.8: endo-1,4-beta-xylanase.
Gene Ontology
Molecular Function
GO:0004553 hydrolase activity, hydrolyzing O-glycosyl compounds
GO:0016798 hydrolase activity, acting on glycosyl bonds
GO:0031176 endo-1,4-beta-xylanase activity
Biological Process
GO:0005975 carbohydrate metabolic process
GO:0045493 xylan catabolic process

View graph for
Molecular Function
View graph for
Biological Process
External links
PDB RCSB:1axk, PDBe:1axk, PDBj:1axk
PDBsum1axk
PubMed9618460
UniProtP18429|XYNA_BACSU Endo-1,4-beta-xylanase A (Gene Name=xynA);
P23904|GUB_PAEMA Beta-glucanase

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