Structure of PDB 6hwl Chain B Binding Site BS04

Receptor Information
>6hwl Chain B (length=397) Species: 235985 (Streptacidiphilus jiangxiensis) [Search protein sequence] [Download receptor structure] [Download structure with residue number starting from 1] [View receptor structure]
NWSELPALVLPSLRLDALLDLGEGHAVGVVRSADAARWTVPLVRSRPGDG
TAEHLVAALARRAAFVLEAFTGERGIINESVIVGECAVVKWAVRLPAEEP
GSPAAQRIAALARGGFTEMPRPWGLLTLAEGAQPVLLASVVAYLPGALDG
WDWAVDDVRRLARGELTMDQALLPAAQLGTLTARMHAALAARGRTPATAA
DVAAWGVRMREELDEAVASVPGAEGERLKAWAPRIADVYAELDALAGTPL
IDVHGDFHVGQILRADGRYAVVDFDGNPVLPADQRAARQPAALDVVGMTA
SLDHVGRVVVFRTPDVDPAPVRAWIAAAQRSFLDAYRTTLARLDADDLFD
DRLLTPLRYAQEVREYLYAVRHLPHWVYVPDLSLTDLLPERLKDKLA
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 chain6hwl Chain B Residue 506 [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]
PDB6hwl Molecular Fingerprints for a Novel Enzyme Family in Actinobacteria with Glucosamine Kinase Activity.
Resolution2.148 Å
Binding residue
(original residue number in PDB)		H302 E409 Y412
Binding residue
(residue number reindexed from 1)		H258 E365 Y368
Annotation score5
Enzymatic activity
Enzyme Commision number 2.7.1.8: glucosamine kinase.
Gene Ontology
Molecular Function
GO:0000287 magnesium ion binding
GO:0005524 ATP binding
GO:0016301 kinase activity
GO:0046872 metal ion binding
GO:0047931 glucosamine kinase activity
Biological Process
GO:0005975 carbohydrate metabolic process
GO:0016310 phosphorylation

View graph for
Molecular Function
View graph for
Biological Process
External links
PDB RCSB:6hwl, PDBe:6hwl, PDBj:6hwl
PDBsum6hwl
PubMed31088917
UniProtA0A1H7TQR5|GLCNK_STRJI Glucosamine kinase (Gene Name=SAMN05414137_114149)

[Back to BioLiP]