Structure of PDB 1gql Chain A Binding Site BS02

Receptor Information
>1gql Chain A (length=701) 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
A
Ligand information
Ligand IDBDP
InChIInChI=1S/C6H10O7/c7-1-2(8)4(5(10)11)13-6(12)3(1)9/h1-4,6-9,12H,(H,10,11)/t1-,2-,3+,4-,6+/m0/s1
InChIKeyAEMOLEFTQBMNLQ-QIUUJYRFSA-N
SMILES
SoftwareSMILES
OpenEye OEToolkits 1.7.0[C@@H]1([C@@H]([C@H](O[C@H]([C@@H]1O)O)C(=O)O)O)O
OpenEye OEToolkits 1.7.0C1(C(C(OC(C1O)O)C(=O)O)O)O
CACTVS 3.370O[CH]1O[CH]([CH](O)[CH](O)[CH]1O)C(O)=O
ACDLabs 12.01O=C(O)C1OC(O)C(O)C(O)C1O
CACTVS 3.370O[C@@H]1O[C@@H]([C@@H](O)[C@H](O)[C@H]1O)C(O)=O
FormulaC6 H10 O7
Namebeta-D-glucopyranuronic acid;
beta-D-glucuronic acid;
D-glucuronic acid;
glucuronic acid
ChEMBLCHEMBL1159524
DrugBankDB03156
ZINCZINC000004097543
PDB chain1gql Chain A Residue 1706 [Download ligand structure] [Download structure with residue number starting from 1] [View ligand structure]
Receptor-Ligand Complex Structure
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PDB1gql The Structural Basis for Catalysis and Specificity of the Pseudomonas Cellulosa Alpha-Glucuronidase, Glca67A
Resolution1.67 Å
Binding residue
(original residue number in PDB)		W160 E168 R169 K288 R325 F327 K360 D365 E393
Binding residue
(residue number reindexed from 1)		W156 E164 R165 K284 R321 F323 K356 D361 E389
Annotation score5
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:1gql, PDBe:1gql, PDBj:1gql
PDBsum1gql
PubMed11937059
UniProtB3PC73|AGUA_CELJU Extracellular xylan exo-alpha-(1->2)-glucuronosidase (Gene Name=gla67A)

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