Structure of PDB 1bcx Chain A Binding Site BS01

Receptor Information
>1bcx Chain A (length=185) Species: 1397 (Niallia circulans) [Search protein sequence] [Download receptor structure] [Download structure with residue number starting from 1] [View receptor structure]
ASTDYWQNWTDGGGIVNAVNGSGGNYSVNWSNTGNFVVGKGWTTGSPFRT
INYNAGVWAPNGNGYLTLYGWTRSPLIEYYVVDSWGTYRPTGTYKGTVKS
DGGTYDIYTTTRYNAPSIDGDRTTFTQYWSVRQSKRPTGSNATITFTNHV
NAWKSHGMNLGSNWAYQVMATCGYQSSGSSNVTVW
Ligand information
Ligand IDXYP
InChIInChI=1S/C5H10O5/c6-2-1-10-5(9)4(8)3(2)7/h2-9H,1H2/t2-,3+,4-,5-/m1/s1
InChIKeySRBFZHDQGSBBOR-KKQCNMDGSA-N
SMILES
SoftwareSMILES
OpenEye OEToolkits 1.5.0C1C(C(C(C(O1)O)O)O)O
CACTVS 3.341O[C@@H]1CO[C@@H](O)[C@H](O)[C@H]1O
OpenEye OEToolkits 1.5.0C1[C@H]([C@@H]([C@H]([C@@H](O1)O)O)O)O
CACTVS 3.341O[CH]1CO[CH](O)[CH](O)[CH]1O
ACDLabs 10.04OC1C(O)COC(O)C1O
FormulaC5 H10 O5
Namebeta-D-xylopyranose;
beta-D-xylose;
D-xylose;
xylose
ChEMBL
DrugBank
ZINCZINC000001529215
PDB chain1bcx Chain B Residue 1 [Download ligand structure] [Download structure with residue number starting from 1] [View ligand structure]
Receptor-Ligand Complex Structure
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PDB1bcx Mutational and crystallographic analyses of the active site residues of the Bacillus circulans xylanase.
Resolution1.81 Å
Binding residue
(original residue number in PDB)
V37 E78 R112 P116
Binding residue
(residue number reindexed from 1)
V37 E78 R112 P116
Annotation score4
Enzymatic activity
Catalytic site (original residue number in PDB) N35 Y69 E78 Y80 C172
Catalytic site (residue number reindexed from 1) N35 Y69 E78 Y80 C172
Enzyme Commision number 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:1bcx, PDBe:1bcx, PDBj:1bcx
PDBsum1bcx
PubMed8019418
UniProtP09850|XYNA_NIACI Endo-1,4-beta-xylanase (Gene Name=xlnA)

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