Structure of PDB 5gqb Chain A Binding Site BS01

Receptor Information
>5gqb Chain A (length=538) Species: 93504 (Ostrinia furnacalis) [Search protein sequence] [Download receptor structure] [Download structure with residue number starting from 1] [View receptor structure]
AAAPPGKPSLGWGERTFAIVEVNQAATAYNQLVTKRDSADVSVTWNVWSG
DPADKARVLLNDKEFWSGTGGAAGSASFKVKKGGRYQMVVELCNADGCSQ
SDATEIIVADTDGSHLPPLDYNMGEKNKPFKQTSGKVVGAYFVEWGVYPR
KFPVDRVPIPNLTHLLYGFIPICGGDGINDSLKEIEGSFQALQRSCSGRE
DFKVSIHDPWAALQKPQKGLSSWNEPYKGNFGQLMMLKQAKPDLKILPSI
GGWTLADPFFFFTDETKRRRFVASVKDFLQTWKFFDGVDIDWEFPGGKGA
NPNLGSPKDGEIYVLLMKELREMLNELSAETGRKYELTSAISAGWDKIQV
VDYSAAQKYMDHIFFMSYDFKGAWSNDTLGHQASLYAPDWNEKETYTTDF
GVQFLLAQGVSPKKIVVGVAMYGRGWTGVHGYKDNNPFTGNATGPVKGTW
QDGVVDYREIATEIAQGKWEYHYDKVAQAPYVFRPATGDLITYDDARSTI
EKGKYVRANKLGGLFAWEIDADNGDILNAMNMGLGNSA
Ligand information
Ligand IDGCS
InChIInChI=1S/C6H13NO5/c7-3-5(10)4(9)2(1-8)12-6(3)11/h2-6,8-11H,1,7H2/t2-,3-,4-,5-,6-/m1/s1
InChIKeyMSWZFWKMSRAUBD-QZABAPFNSA-N
SMILES
SoftwareSMILES
OpenEye OEToolkits 1.5.0C([C@@H]1[C@H]([C@@H]([C@H]([C@@H](O1)O)N)O)O)O
CACTVS 3.341N[CH]1[CH](O)O[CH](CO)[CH](O)[CH]1O
OpenEye OEToolkits 1.5.0C(C1C(C(C(C(O1)O)N)O)O)O
CACTVS 3.341N[C@H]1[C@H](O)O[C@H](CO)[C@@H](O)[C@@H]1O
ACDLabs 10.04OC1C(O)C(OC(O)C1N)CO
FormulaC6 H13 N O5
Name2-amino-2-deoxy-beta-D-glucopyranose;
beta-D-glucosamine;
2-amino-2-deoxy-beta-D-glucose;
2-amino-2-deoxy-D-glucose;
2-amino-2-deoxy-glucose;
D-GLUCOSAMINE
ChEMBLCHEMBL234432
DrugBank
ZINCZINC000003860468
PDB chain5gqb Chain B Residue 2 [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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PDB5gqb Structure, Catalysis, and Inhibition of OfChi-h, the Lepidoptera-exclusive Insect Chitinase.
Resolution2.7 Å
Binding residue
(original residue number in PDB)		W268 D384
Binding residue
(residue number reindexed from 1)		W253 D369
Annotation score4
Enzymatic activity
Catalytic site (original residue number in PDB) D304 D306 E308 Y383
Catalytic site (residue number reindexed from 1) D289 D291 E293 Y368
Enzyme Commision number ?
Gene Ontology
Molecular Function
GO:0004553 hydrolase activity, hydrolyzing O-glycosyl compounds
GO:0004568 chitinase activity
GO:0008061 chitin binding
Biological Process
GO:0005975 carbohydrate metabolic process
GO:0006032 chitin catabolic process

View graph for
Molecular Function
View graph for
Biological Process
External links
PDB RCSB:5gqb, PDBe:5gqb, PDBj:5gqb
PDBsum5gqb
PubMed28053084
UniProtQ4AE59

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