Structure of PDB 1gqj Chain A Binding Site BS01

Receptor Information
>1gqj Chain A (length=708) Species: 155077 (Cellvibrio japonicus) [Search protein sequence] [Download receptor structure] [Download structure with residue number starting from 1] [View receptor structure]
EDGYDMWLRYQPIADQTLLKTYQKQIRHLHVAGDSPTINAAAAELQRGLS
GLLNKPIVARDEKLKDYSLVIGTPDNSPLIASLNLGERLQALGAEGYLLE
QTRINKRHVVIVAANSDVGVLYGSFHLLRLIQTQHALEKLSLSSAPRLQH
RVVNHWDNLNRVVERGYAGLSLWDWGSLPNYLAPRYTDYARINASLGING
TVINNVNADPRVLSDQFLQKIAALADAFRPYGIKMYLSINFNSPRAFGDV
DTADPLDPRVQQWWKTRAQKIYSYIPDFGGFLVKADSEGQPGPQGYGRDH
AEGANMLAAALKPFGGVVFWRAFVYHPDIEDRFRGAYDEFMPLDGKFADN
VILQIKNGPIDFQPREPFSALFAGMSRTNMMMEFQITQEYFGFATHLAYQ
GPLFEESLKTETHARGEGSTIGNILEGKVFKTRHTGMAGVINPGTDRNWT
GHPFVQSSWYAFGRMAWDHQISAATAADEWLRMTFSNQPAFIEPVKQMML
VSREAGVNYRSPLGLTHLYSQGDHYGPAPWTDDLPRADWTAVYYHRASKT
GIGFNRTKTGSNALAQYPEPIAKAWGDLNSVPEDLILWFHHLSWDHRMQS
GRNLWQELVHKYYQGVEQVRAMQRTWDQQEAYVDAARFAQVKALLQVQER
EAVRWRNSCVLYFQSVAGRPIPANYEQPEHDLEYYKMLARTTYVPEPWHP
ASSSRVLK
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 chain1gqj Chain C Residue 2 [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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PDB1gqj The Structural Basis for Catalysis and Specificity of the Pseudomonas Cellulosa Alpha-Glucuronidase, Glca67A
Resolution1.9 Å
Binding residue
(original residue number in PDB)		E292 R336 D365 H521 Q525 H528 W543
Binding residue
(residue number reindexed from 1)		E288 R332 D361 H517 Q521 H524 W539
Annotation score1
Enzymatic activity
Enzyme Commision number 3.2.1.131: xylan alpha-1,2-glucuronosidase.
Gene Ontology
Molecular Function
GO:0004553 hydrolase activity, hydrolyzing O-glycosyl compounds
GO:0016798 hydrolase activity, acting on glycosyl bonds
GO:0033939 xylan alpha-1,2-glucuronosidase activity
GO:0046559 alpha-glucuronidase activity
Biological Process
GO:0005975 carbohydrate metabolic process
GO:0045493 xylan catabolic process
GO:2000886 glucuronoxylan catabolic process
Cellular Component
GO:0005576 extracellular region
GO:0009279 cell outer membrane

View graph for
Molecular Function
View graph for
Biological Process
View graph for
Cellular Component
External links
PDB RCSB:1gqj, PDBe:1gqj, PDBj:1gqj
PDBsum1gqj
PubMed11937059
UniProtB3PC73|AGUA_CELJU Extracellular xylan exo-alpha-(1->2)-glucuronosidase (Gene Name=gla67A)

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