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BioLiP

Structure of PDB 4qwp Chain B Binding Site BS01

Receptor Information
>4qwp Chain B (length=237) Species: 201382 (Pseudomonas sp. A-01) [Search protein sequence] [Download receptor structure] [Download structure with residue number starting from 1] [View receptor structure]
GTVDLDAPVQKDTAMSLVSSFENSSTDWQAQYGYLEDIAAGRGYTGGLIG
FTSGTGDMLELVRAYSASSPGNPLEQYIPALEAVNGTDSHAGLGQGFEQA
WADAAETSEFRAAQDAERDRVYFDPAVAQGKADGLSALGQFAYYDTLVVH
GPGSQRDAFGGIRAEALSAALPPSQGGDETEYLEAFFDARNVIMREEPAH
ADTSRIDTAQRVFLQNGNFDLERPLTWSVYGDQYSLN
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 chain4qwp Chain E Residue 1 [Download ligand structure] [Download structure with residue number starting from 1] [View ligand structure]
Receptor-Ligand Complex Structure
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PDB4qwp Structural and biochemical insights into the degradation mechanism of chitosan by chitosanase OU01.
Resolution1.7 Å
Binding residue
(original residue number in PDB)		S27 Y233 D235
Binding residue
(residue number reindexed from 1)		S24 Y230 D232
Annotation score4
Enzymatic activity
Catalytic site (original residue number in PDB) E25 A43 T48
Catalytic site (residue number reindexed from 1) E22 A40 T45
Enzyme Commision number 3.2.1.132: chitosanase.
Gene Ontology
Molecular Function
GO:0016798 hydrolase activity, acting on glycosyl bonds
GO:0016977 chitosanase activity
Biological Process
GO:0005975 carbohydrate metabolic process
Cellular Component
GO:0005576 extracellular region

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Cellular Component
External links

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