Structure of PDB 2vzv Chain B Binding Site BS02

Receptor Information
>2vzv Chain B (length=857) Species: 31958 (Amycolatopsis orientalis) [Search protein sequence] [Download receptor structure] [Download structure with residue number starting from 1] [View receptor structure]
LSVGAAAGNATPIPGYVIQSSAQVSDDSAVSKPGFPTSGWYPVSSRSTVY
AGLLQNGKYADPFYSTNMQNVPAAQFSVPWWYRTDLNVDDTSSRTYLDFS
GVLSKADVWVNGTKVATKDQVNGAYTRHDLDITAQVHTGVNSVAFKVYPN
DPNRDLSMGWIDWAQTPPDQNMGIVRDVLVRRSGAVALRSAHVIQKLNSA
LDHADLTVKADVRNDSANAVQTTVAGTVAGKPISQTVSLAAKERKTVTFP
LVGLDRPNVWWPAGMGGQHRYDLDLTASVGGTPSDAAKSKFGVRDVKATL
NSSGGRQYSVNGKPLLIRGGGYTPDLFLRWNETAAADKLKYVLNLGLNTV
RLEGHIEPDEFFDIADDLGVLTMPGWECCDKWEGQVNGEEKGEPWVESDY
PIAKASMFSEAERLRDHPSVISFHIGSDFAPDRRIEQGYLDAMKAADFLL
PVIPAASARPSPITGASGMKMNGPYDYVPPVYWYDKSQKDRGGAWSFNSA
TSAGVDIPTMDTLKRMMSASELDTMWKNPSAKQYHRSSSDTFGNLKLFGD
ALTKRYGASANLNDFVRKAQLSQYENVRAEFESHSRNYTDSTNPSTGLIY
WMLNSPWTSLHWQLFDAYMDQNGAYYGAKKANEPLHIQYSHDNRSVVVIN
QTSNAVSGLTATTKLYNLDGTEKYSNTKTGLSVGALGAKATAVTVPAVSG
LSTTYLAKNVLTDSSGKEVSRNVYWLSTKADTLNWGGSDWYYTPQSAFAD
LSGLNNLGQSAVGATANSVAGADGTTTTTVTLKNTSGGRLPAFYVDSKVV
DSAGKPVLPVEWNDNAVSLWPGETTTLTAKYRTADLKGSKPSVRISGWNT
GTQTVPA
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 chain2vzv Chain D 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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PDB2vzv The Structural Basis of Substrate Recognition in an Exo-Beta-D-Glucosaminidase Involved in Chitosan Hydrolysis.
Resolution2.7 Å
Binding residue
(original residue number in PDB)		I202 D203 W204 E394 C419 Y516 W642 W653 W781
Binding residue
(residue number reindexed from 1)		I161 D162 W163 E353 C378 Y475 W601 W612 W740
Annotation score4
Enzymatic activity
Enzyme Commision number 3.2.1.165: exo-1,4-beta-D-glucosaminidase.
Gene Ontology
Molecular Function
GO:0004553 hydrolase activity, hydrolyzing O-glycosyl compounds
GO:0030246 carbohydrate binding
Biological Process
GO:0005975 carbohydrate metabolic process

View graph for
Molecular Function
View graph for
Biological Process
External links
PDB RCSB:2vzv, PDBe:2vzv, PDBj:2vzv
PDBsum2vzv
PubMed18976664
UniProtQ56F26|EBDG_AMYOR Exo-beta-D-glucosaminidase (Gene Name=csxA)

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