Structure of PDB 7wjb Chain A Binding Site BS01

Receptor Information
>7wjb 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
YQYQNAQKKHKNNIILSRYAGPGSHRYPLGFSGDSVISWASLDFQPYFTS
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 chain7wjb Chain A 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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PDB7wjb Structural basis of the strict specificity of a bacterial GH31 alpha-1,3-glucosidase for nigerooligosaccharides.
Resolution2.0 Å
Binding residue
(original residue number in PDB)		Y203 D231 M232 W248 N278 H280 W339 D341 Q343 D394 H427 H453
Binding residue
(residue number reindexed from 1)		Y193 D221 M222 W238 N268 H270 W329 D331 Q333 D384 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:7wjb, PDBe:7wjb, PDBj:7wjb
PDBsum7wjb
PubMed35293315
UniProtA2RM80

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