Structure of PDB 7c6d Chain A Binding Site BS05

Receptor Information
>7c6d Chain A (length=241) Species: 224308 (Bacillus subtilis subsp. subtilis str. 168) [Search protein sequence] [Download receptor structure] [Download structure with residue number starting from 1] [View receptor structure]
GLNKDQKRRAEQLTSIFANGTTEIQYGYVERLDDGRGYTCGRAGFTTATG
DALEVVEVYTKAVPNNKLKKYLPELRRLAKEESDDTSNLKGFASAWKSLA
NDKEFRAAQDKVNDHLYYQPAMKRSDNAGLKTALARAVMYDTVIQHGDGD
DPDSFYALIKRTNKKAGGSPKDGIDEKKWLNKFLDVRYDDLMNPANHDTR
DEWRESVARVDVLRSIAKENNYNLNGPIHVRSNEYGNFVIK
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 chain7c6d Chain B Residue 5 [Download ligand structure] [Download structure with residue number starting from 1] [View ligand structure]
Receptor-Ligand Complex Structure
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PDB7c6d Structure-based rational design of chitosanase CsnMY002 for high yields of chitobiose.
Resolution1.451 Å
Binding residue
(original residue number in PDB)		Y118 G148 D149
Binding residue
(residue number reindexed from 1)		Y117 G147 D148
Annotation score4
Enzymatic activity
Catalytic site (original residue number in PDB) A19 D35 T40
Catalytic site (residue number reindexed from 1) A18 D34 T39
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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Molecular Function
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Biological Process
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Cellular Component
External links
PDB RCSB:7c6d, PDBe:7c6d, PDBj:7c6d
PDBsum7c6d
PubMed33744813
UniProtO07921|CHIS_BACSU Chitosanase (Gene Name=csn)

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