Structure of PDB 7wj9 Chain E Binding Site BS01

Receptor Information
>7wj9 Chain E (length=728) Species: 416870 (Lactococcus cremoris subsp. cremoris MG1363) [Search protein sequence] [Download receptor structure] [Download structure with residue number starting from 1] [View receptor structure]
NNIIKFDKARFTVLTEHLIRIEYSETGEFEERMTQMVQNREFSEVNFDII
EKEETIEIITSTVHLYYNGGEFTNASLFADVKFNFSVYSNRWYFGEKSDG
NLKGTTRTLDMIDGECPLEDGIMSKNGFAVLADKGKVLTEVGDIAGNSVS
TIDLYLFAYGRDYRQALKDFYQLTGNTPKLPRFALGNWWSRYYDYSDKSY
LALMDKFTDKKVPLSVSVIDMDWHKVSEVPSRFGSGWTGYSWNKKLFPNP
ENFIDELHQRKLKVTLNDHPADGIRAFEDPYPQVAQTLDLNTELEEAAKF
DFDNLKFRKAYFEEVHGPLEKEGVDFWWIDWQQGAISKSGVDPLWLLNHY
QYQNAQKKHKNNIILSRYAGPGSHRYPLGFSGDSVISWASLDFQPYFTST
ASNIGYTWWSHDIGGHMQGYKDAELSLRWLQFGVFSPINRLHSSKSEFTS
KEPWHFDAVIEQSMIDFLQLRHQLIPYLYSANLITASEGRALVEPLYYEY
PMEEEAYQHRNQYLFGEQLMVAPITEKMNSLLQMGSVEVWFPEGTWYDFF
SGQPYDGKVSLKVYREITEMPVFAKAGAIIPLDKNPLKKEEIPSEIIWKI
FPGADGEYLLLEEDNETKAEFVNGIFTVTSKKESSRKHTIIYGEHEIVSA
KRGEFSIDLNGKEENFDWNFSTALFRRLDIAEISYEQKDEILQQLSLIEE
HEKQVAFIKTNENQELQNSLFELLYSGK
Ligand information
Ligand IDXYL
InChIInChI=1S/C5H12O5/c6-1-3(8)5(10)4(9)2-7/h3-10H,1-2H2/t3-,4+,5+
InChIKeyHEBKCHPVOIAQTA-SCDXWVJYSA-N
SMILES
SoftwareSMILES
OpenEye OEToolkits 1.5.0C([C@@H](C([C@@H](CO)O)O)O)O
OpenEye OEToolkits 1.5.0C(C(C(C(CO)O)O)O)O
CACTVS 3.341OC[CH](O)[CH](O)[CH](O)CO
CACTVS 3.341OC[C@H](O)[C@@H](O)[C@H](O)CO
ACDLabs 10.04OC(CO)C(O)C(O)CO
FormulaC5 H12 O5
NameXylitol;
D-Xylitol
ChEMBLCHEMBL96783
DrugBankDB11195
ZINCZINC000100018612
PDB chain7wj9 Chain E Residue 801 [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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PDB7wj9 Structural basis of the strict specificity of a bacterial GH31 alpha-1,3-glucosidase for nigerooligosaccharides.
Resolution1.75 Å
Binding residue
(original residue number in PDB)		Y203 D231 M232 W248 N278 H280 D341 F391 D394 H427 H453
Binding residue
(residue number reindexed from 1)		Y192 D220 M221 W237 N267 H269 D330 F380 D383 H416 H442
Annotation score4
Enzymatic activity
Enzyme Commision number 3.2.1.-
Gene Ontology
Molecular Function
GO:0004553 hydrolase activity, hydrolyzing O-glycosyl compounds
GO:0016798 hydrolase activity, acting on glycosyl bonds
Biological Process
GO:0005975 carbohydrate metabolic process

View graph for
Molecular Function
View graph for
Biological Process
External links
PDB RCSB:7wj9, PDBe:7wj9, PDBj:7wj9
PDBsum7wj9
PubMed35293315
UniProtA2RM80

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