Structure of PDB 5z3f Chain A Binding Site BS01

Receptor Information
>5z3f Chain A (length=371) Species: 479435 (Kribbella flavida DSM 17836) [Search protein sequence] [Download receptor structure] [Download structure with residue number starting from 1] [View receptor structure]
GLDSHELARLHELARHSHAVITRHQDAGGAYPAAPTFSAYRGYAWLRDGS
FTAEGISRYGDVASAGRFHDWVDGVLRRRRGQVDDLLAAVDRGEVPSNEG
MLPTRFTFDGNDGSDPWWDFQTDGYGMWLWSVVTHAARHGLDLERWRAGI
DVAVDYLLAFWDRPCYDWWEEHVEHRHVSTLGAIHGGLVAVGTCAALRSA
PWSAATLQVAARIRSLVSAEGVVDGHLVKWLGSSAVDGSLPACVVPFGLV
PPDDDVAAMTRAAVAKDLDVDGGVHRFAADVFYGGGQWILLSALLGWNLA
AAGDTAGALRHLRWIADQADADGDLPAQVPHHLLHPGSRAEWVARWGTVA
TPLLWSHGMYLILADELGLLP
Ligand information
Ligand IDBGC
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-VFUOTHLCSA-N
SMILES
SoftwareSMILES
OpenEye OEToolkits 1.7.6C(C1C(C(C(C(O1)O)O)O)O)O
CACTVS 3.370OC[C@H]1O[C@@H](O)[C@H](O)[C@@H](O)[C@@H]1O
CACTVS 3.370OC[CH]1O[CH](O)[CH](O)[CH](O)[CH]1O
OpenEye OEToolkits 1.7.6C([C@@H]1[C@H]([C@@H]([C@H]([C@@H](O1)O)O)O)O)O
ACDLabs 12.01OC1C(O)C(OC(O)C1O)CO
FormulaC6 H12 O6
Namebeta-D-glucopyranose;
beta-D-glucose;
D-glucose;
glucose
ChEMBLCHEMBL1614854
DrugBankDB02379
ZINCZINC000003833800
PDB chain5z3f Chain A Residue 401 [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]
PDB5z3f Structural insights reveal the second base catalyst of isomaltose glucohydrolase.
Resolution1.1 Å
Binding residue
(original residue number in PDB)		Y48 W53 R55 D56 W176 W177
Binding residue
(residue number reindexed from 1)		Y40 W45 R47 D48 W168 W169
Annotation score5
Enzymatic activity
Enzyme Commision number 3.2.1.205: isomaltose glucohydrolase.
Gene Ontology
Molecular Function
GO:0004553 hydrolase activity, hydrolyzing O-glycosyl compounds
GO:0016798 hydrolase activity, acting on glycosyl bonds
Biological Process
GO:0000272 polysaccharide catabolic process
GO:0005975 carbohydrate metabolic process
Cellular Component
GO:0005737 cytoplasm

View graph for
Molecular Function
View graph for
Biological Process
View graph for
Cellular Component
External links
PDB RCSB:5z3f, PDBe:5z3f, PDBj:5z3f
PDBsum5z3f
PubMed34665923
UniProtD2PPM8|IMGH_KRIFD Isomaltose glucohydrolase (Gene Name=Kfla_1896)

[Back to BioLiP]