Structure of PDB 3bmx Chain A Binding Site BS01

Receptor Information
>3bmx Chain A (length=617) Species: 1423 (Bacillus subtilis) [Search protein sequence] [Download receptor structure] [Download structure with residue number starting from 1] [View receptor structure]
ASASKRAIDANQIVNRMSLDEKLGQMLMPDFRNWQKEGESSPQALTKMND
EVASLVKKYQFGGIILFAENVKTTKQTVQLTDDYQKASPKIPLMLSIDQE
GGIVTRLGEGTNFPGNMALGAARSRINAYQTGSIIGKELSALGINTDFSP
VVDINNNPDNPVIGVRSFSSNRELTSRLGLYTMKGLQRQDIASALKHFPG
HGDTDVDSHYGLPLVSHGQERLREVELYPFQKAIDAGADMVMTAHVQFPA
FDDTTYKSKLDGSDILVPATLSKKVMTGLLRQEMGFNGVIVTDALNMKAI
ADHFGQEEAVVMAVKAGVDIALMPASVTSLKEEQKFARVIQALKEAVKNG
DIPEQQINNSVERIISLKIKRGMYPARNSDSTKEKIAKAKKIVGSKQHLK
AEKKLAEKAVTVLKNEQHTLPFKPKKGSRILIVAPYEEQTASIEQTIHDL
IKRKKIKPVSLSKMNFASQVFKTEHEKQVKEADYIITGSYVVKNDPVVND
GVIDDTISDSSKWATVFPRAVMKAALQHNKPFVLMSLRNPYDAANFEEAK
ALIAVYGFKGYANGRYLQPNIPAGVMAIFGQAKPKGTLPVDIPSVTKPGN
TLYPLGYGLNIKTGRPL
Ligand information
Ligand IDNA
InChIInChI=1S/Na/q+1
InChIKeyFKNQFGJONOIPTF-UHFFFAOYSA-N
SMILES
SoftwareSMILES
ACDLabs 10.04
CACTVS 3.341
OpenEye OEToolkits 1.5.0		[Na+]
FormulaNa
NameSODIUM ION
ChEMBL
DrugBankDB14516
ZINC
PDB chain3bmx Chain A Residue 646 [Download ligand structure] [Download structure with residue number starting from 1] [View ligand structure]
Receptor-Ligand Complex Structure
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PDB3bmx Structural and kinetic analysis of Bacillus subtilis N-acetylglucosaminidase reveals a unique Asp-His dyad mechanism
Resolution1.4 Å
Binding residue
(original residue number in PDB)		H226 S233 A269 H270 D318
Binding residue
(residue number reindexed from 1)		H201 S208 A244 H245 D293
Annotation score3
Enzymatic activity
Catalytic site (original residue number in PDB) D318 N524
Catalytic site (residue number reindexed from 1) D293 N499
Enzyme Commision number 3.2.1.52: beta-N-acetylhexosaminidase.
Gene Ontology
Molecular Function
GO:0004553 hydrolase activity, hydrolyzing O-glycosyl compounds
Biological Process
GO:0005975 carbohydrate metabolic process

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Molecular Function
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Biological Process
External links
PDB RCSB:3bmx, PDBe:3bmx, PDBj:3bmx
PDBsum3bmx
PubMed20826810
UniProtP40406|NAGZ_BACSU Beta-hexosaminidase (Gene Name=nagZ)

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