Structure of PDB 1h41 Chain A Binding Site BS01

Receptor Information
>1h41 Chain A (length=700) 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
DTADPLDPRVQQWWKTRAQKIYSYIPDFGGFLVKADSAGQPGPQGYGRDH
AEGANMLAAALKPFGGVVFWRADRFRGAYDEFMPLDGKFADNVILQIKNG
PIDFQPREPFSALFAGMSRTNMMMEFQITQEYFGFATHLAYQGPLFEESL
KTETHARGEGSTIGNILEGKVFKTRHTGMAGVINPGTDRNWTGHPFVQSS
WYAFGRMAWDHQISAATAADEWLRMTFSNQPAFIEPVKQMMLVSREAGVN
YRSPLGLTHLYSQGDHYGPAPWTDDLPRADWTAVYYHRASKTGIGFNRTK
TGSNALAQYPEPIAKAWGDLNSVPEDLILWFHHLSWDHRMQSGRNLWQEL
VHKYYQGVEQVRAMQRTWDQQEAYVDAARFAQVKALLQVQEREAVRWRNS
CVLYFQSVAGRPIPANYEQPEHDLEYYKMLARTTYVPEPWHPASSSRVLK
Ligand information
Ligand IDGCV
InChIInChI=1S/C7H12O7/c1-13-4-2(8)3(9)7(12)14-5(4)6(10)11/h2-5,7-9,12H,1H3,(H,10,11)/t2-,3-,4+,5+,7+/m1/s1
InChIKeyWGLLPAPKWFDHHV-NRGGUMNKSA-N
SMILES
SoftwareSMILES
OpenEye OEToolkits 1.5.0COC1C(C(C(OC1C(=O)O)O)O)O
OpenEye OEToolkits 1.5.0CO[C@H]1[C@@H]([C@H]([C@H](O[C@@H]1C(=O)O)O)O)O
CACTVS 3.341CO[CH]1[CH](O)[CH](O)[CH](O)O[CH]1C(O)=O
CACTVS 3.341CO[C@H]1[C@H](O)[C@@H](O)[C@@H](O)O[C@@H]1C(O)=O
ACDLabs 10.04O=C(O)C1OC(O)C(O)C(O)C1OC
FormulaC7 H12 O7
Name4-O-methyl-alpha-D-glucopyranuronic acid;
4-O-METHYL-ALPHA-D-GLUCURONIC ACID;
4-O-methyl-D-glucuronic acid;
4-O-methyl-glucuronic acid
ChEMBLCHEMBL187785
DrugBankDB04303
ZINC
PDB chain1h41 Chain A Residue 1713 [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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PDB1h41 The Alpha-Glucuronidase,Glca67A,of Cellvibrio Japonicus Utilizes the Carboxylate and Methyl Groups of Aldobiouronic Acid as Important Substrate Recognition Determinants
Resolution1.5 Å
Binding residue
(original residue number in PDB)		W160 E168 R169 N211 K288 R325 K360
Binding residue
(residue number reindexed from 1)		W156 E164 R165 N207 K284 R321 K348
Annotation score3
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
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Biological Process
View graph for
Cellular Component
External links
PDB RCSB:1h41, PDBe:1h41, PDBj:1h41
PDBsum1h41
PubMed12654910
UniProtB3PC73|AGUA_CELJU Extracellular xylan exo-alpha-(1->2)-glucuronosidase (Gene Name=gla67A)

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