Structure of PDB 3hn6 Chain E Binding Site BS01

Receptor Information
>3hn6 Chain E (length=266) Species: 224326 (Borreliella burgdorferi B31) [Search protein sequence] [Download receptor structure] [Download structure with residue number starting from 1] [View receptor structure]
PGSMRLIIRPTYEDISKWAANHVAQKINEFSPTKENPFILGLPTGSSPIG
MYKNLIELNKNKKISFQNVITFNMDEYIGIEENHPESYHSFMWNNFFSHI
DIKKENINILNGNASNLKKECEEYEKKIKSFGGIMLFVGGIGPDGHIAFN
EPGSSLTSRTRIKTLTQDTIIANSRFFNKVPKNALTVGIGTIMDSQEVLI
IVNGHNKARALKHAIEKGVNHMWTISALQLHKNAIIVSDKNATYELKVGT
VEYFNDIERKNFNNDL
Ligand information
Ligand IDPOP
InChIInChI=1S/H4O7P2/c1-8(2,3)7-9(4,5)6/h(H2,1,2,3)(H2,4,5,6)/p-2
InChIKeyXPPKVPWEQAFLFU-UHFFFAOYSA-L
SMILES
SoftwareSMILES
OpenEye OEToolkits 1.5.0O[P@@](=O)([O-])O[P@@](=O)(O)[O-]
CACTVS 3.341O[P]([O-])(=O)O[P](O)([O-])=O
ACDLabs 10.04[O-]P(=O)(O)OP([O-])(=O)O
OpenEye OEToolkits 1.5.0OP(=O)([O-])OP(=O)(O)[O-]
FormulaH2 O7 P2
NamePYROPHOSPHATE 2-
ChEMBL
DrugBank
ZINC
PDB chain3hn6 Chain D Residue 301 [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]
PDB3hn6 Crystal Structure of Glucosamine-6-phosphate deaminase from Borrelia burgdorferi
Resolution2.2 Å
Binding residue
(original residue number in PDB)		R210 K213 H214
Binding residue
(residue number reindexed from 1)		R209 K212 H213
Annotation score1
Enzymatic activity
Catalytic site (original residue number in PDB) D72 D141 H143 E148
Catalytic site (residue number reindexed from 1) D75 D144 H146 E151
Enzyme Commision number 3.5.99.6: glucosamine-6-phosphate deaminase.
Gene Ontology
Molecular Function
GO:0004342 glucosamine-6-phosphate deaminase activity
GO:0016787 hydrolase activity
GO:0042802 identical protein binding
Biological Process
GO:0005975 carbohydrate metabolic process
GO:0006043 glucosamine catabolic process
GO:0006044 N-acetylglucosamine metabolic process
GO:0006046 N-acetylglucosamine catabolic process
GO:0019262 N-acetylneuraminate catabolic process
Cellular Component
GO:0005737 cytoplasm
GO:0005829 cytosol

View graph for
Molecular Function
View graph for
Biological Process
View graph for
Cellular Component
External links
PDB RCSB:3hn6, PDBe:3hn6, PDBj:3hn6
PDBsum3hn6
PubMed
UniProtO30564|NAGB_BORBU Glucosamine-6-phosphate deaminase (Gene Name=nagB)

[Back to BioLiP]