Structure of PDB 7wje Chain A Binding Site BS02

Receptor Information
>7wje Chain A (length=729) Species: 416870 (Lactococcus cremoris subsp. cremoris MG1363) [Search protein sequence] [Download receptor structure] [Download structure with residue number starting from 1] [View receptor structure]
NNNIIKFDKARFTVLTEHLIRIEYSETGEFEERMTQMVQNREFSEVNFDI
IEKEETIEIITSTVHLYYNGGEFTNASLFADVKFNFSVYSNRWYFGEKSD
GNLKGTTRTLDMIDGECPLEDGIMSKNGFAVLADKGKVLTEVGDIAGNSV
STIDLYLFAYGRDYRQALKDFYQLTGNTPKLPRFALGNWWSRYYDYSDKS
YLALMDKFTDKKVPLSVSVIDMDWHKVSEVPSRFGSGWTGYSWNKKLFPN
PENFIDELHQRKLKVTLNDHPADGIRAFEDPYPQVAQTLDLNTELEEAAK
FDFDNLKFRKAYFEEVHGPLEKEGVDFWWIDWQQGAISKSGVDPLWLLNH
YQYQNAQKKHKNNIILSRYAGPGSHRYPLGFSGASVISWASLDFQPYFTS
TASNIGYTWWSHDIGGHMQGYKDAELSLRWLQFGVFSPINRLHSSKSEFT
SKEPWHFDAVIEQSMIDFLQLRHQLIPYLYSANLITASEGRALVEPLYYE
YPMEEEAYQHRNQYLFGEQLMVAPITEKMNSLLQMGSVEVWFPEGTWYDF
FSGQPYDGKVSLKVYREITEMPVFAKAGAIIPLDKNPLKKEEIPSEIIWK
IFPGADGEYLLLEEDNETKAEFVNGIFTVTSKKESSRKHTIIYGEHEIVS
AKRGEFSIDLNGKEENFDWNFSTALFRRLDIAEISYEQKDEILQQLSLIE
EHEKQVAFIKTNENQELQNSLFELLYSGK
Ligand information
Ligand IDGLC
InChIInChI=1S/C6H12O6/c7-1-2-3(8)4(9)5(10)6(11)12-2/h2-11H,1H2/t2-,3-,4+,5-,6+/m1/s1
InChIKeyWQZGKKKJIJFFOK-DVKNGEFBSA-N
SMILES
SoftwareSMILES
OpenEye OEToolkits 1.5.0C(C1C(C(C(C(O1)O)O)O)O)O
OpenEye OEToolkits 1.5.0C([C@@H]1[C@H]([C@@H]([C@H]([C@H](O1)O)O)O)O)O
CACTVS 3.341OC[CH]1O[CH](O)[CH](O)[CH](O)[CH]1O
CACTVS 3.341OC[C@H]1O[C@H](O)[C@H](O)[C@@H](O)[C@@H]1O
ACDLabs 10.04OC1C(O)C(OC(O)C1O)CO
FormulaC6 H12 O6
Namealpha-D-glucopyranose;
alpha-D-glucose;
D-glucose;
glucose
ChEMBLCHEMBL423707
DrugBank
ZINCZINC000003861213
PDB chain7wje Chain B Residue 4 [Download ligand structure] [Download structure with residue number starting from 1] [View ligand structure]
Receptor-Ligand Complex Structure
Global viewLocal viewStructure summary

[Spin on] [Spin off] [Reset]
[High quality] [Low quality]
[White background] [Black background]
[Spin on] [Spin off] [Reset]
[High quality] [Low quality]
[White background] [Black background]
PDB7wje Structural basis of the strict specificity of a bacterial GH31 alpha-1,3-glucosidase for nigerooligosaccharides.
Resolution1.8 Å
Binding residue
(original residue number in PDB)		Y203 D231 M232 W248 N278 H280 D341 H427 H453
Binding residue
(residue number reindexed from 1)		Y193 D221 M222 W238 N268 H270 D331 H417 H443
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:7wje, PDBe:7wje, PDBj:7wje
PDBsum7wje
PubMed35293315
UniProtA2RM80

[Back to BioLiP]