Structure of PDB 3fhq Chain A Binding Site BS03

Receptor Information
>3fhq Chain A (length=601) Species: 37930 (Glutamicibacter protophormiae) [Search protein sequence] [Download receptor structure] [Download structure with residue number starting from 1] [View receptor structure]
TYNGPLSSHWFPEELAQWEPDSDPDAPFNRSHVPLEPGRVADRVNANADK
DAHLVSLSALNRHTSGVPSQGAPVFYENTFSYWHYTDLMVYWAGSAGEGI
IVPPSADVIDASHRNGVPILGNVFFPPTVYGGQLEWLEQMLEQEEDGSFP
LADKLLEVADYYGFDGWFINQETEGADEGTAEAMQAFLVYLQEQKPEGMH
IMWYDSMIDTGAIAWQNHLTDRNKMYLQNGSTRVADSMFLNFWWRDQRQS
NELAQALGRSPYDLYAGVDVEARGTSTPVQWEGLFPEGEKAHTSLGLYRP
DWAFQSSETMEAFYEKELQFWVGSTGNPAETDGQSNWPGMAHWFPAKSTA
TSVPFVTHFNTGSGAQFSAEGKTVSEQEWNNRSLQDVLPTWRWIQHGGDL
EATFSWEEAFEGGSSLQWHGSLAEGEHAQIELYQTELPISEGTSLTWTFK
SEHDNDLNVGFRLDDFRYVEGEQRESINGWTQWTLPLDAFAGQTITGLAF
AAEGNETGLAEFYTGQLAVGKPAAPNVNVRQYDPDPSGIQLVWEKQSNVH
HYRVYKETKHGKELIGTSAGDRIYIEGLVEVRLHIEALSETFVPSDARMI
D
Ligand information
Ligand IDNGT
InChIInChI=1S/C8H13NO4S/c1-3-9-5-7(12)6(11)4(2-10)13-8(5)14-3/h4-8,10-12H,2H2,1H3/t4-,5-,6-,7-,8-/m1/s1
InChIKeyDRHXTSWSUAJOJZ-FMDGEEDCSA-N
SMILES
SoftwareSMILES
OpenEye OEToolkits 1.5.0CC1=NC2C(C(C(OC2S1)CO)O)O
ACDLabs 10.04N1=C(SC2OC(C(O)C(O)C12)CO)C
OpenEye OEToolkits 1.5.0CC1=N[C@@H]2[C@H]([C@@H]([C@H](O[C@@H]2S1)CO)O)O
CACTVS 3.341CC1=N[CH]2[CH](O)[CH](O)[CH](CO)O[CH]2S1
CACTVS 3.341CC1=N[C@@H]2[C@@H](O)[C@H](O)[C@@H](CO)O[C@@H]2S1
FormulaC8 H13 N O4 S
Name3AR,5R,6S,7R,7AR-5-HYDROXYMETHYL-2-METHYL-5,6,7,7A-TETRAHYDRO-3AH-PYRANO[3,2-D]THIAZOLE-6,7-DIOL
ChEMBLCHEMBL257158
DrugBankDB03747
ZINCZINC000016051892
PDB chain3fhq Chain A Residue 625 [Download ligand structure] [Download structure with residue number starting from 1] [View ligand structure]
Receptor-Ligand Complex Structure
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PDB3fhq Structural basis and catalytic mechanism for the dual functional endo-beta-N-acetylglucosaminidase A
Resolution2.452 Å
Binding residue
(original residue number in PDB)		F169 N171 E173 Y205 F243 Y299
Binding residue
(residue number reindexed from 1)		F168 N170 E172 Y204 F242 Y298
Annotation score1
Enzymatic activity
Enzyme Commision number 3.2.1.96: mannosyl-glycoprotein endo-beta-N-acetylglucosaminidase.
Gene Ontology
Molecular Function
GO:0004553 hydrolase activity, hydrolyzing O-glycosyl compounds
GO:0016798 hydrolase activity, acting on glycosyl bonds
GO:0033925 mannosyl-glycoprotein endo-beta-N-acetylglucosaminidase activity
GO:0046872 metal ion binding
Biological Process
GO:0005975 carbohydrate metabolic process
GO:0006517 protein deglycosylation
Cellular Component
GO:0005737 cytoplasm
GO:0005829 cytosol

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Molecular Function
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Biological Process
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Cellular Component
External links
PDB RCSB:3fhq, PDBe:3fhq, PDBj:3fhq
PDBsum3fhq
PubMed19252736
UniProtQ9ZB22

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