Structure of PDB 3fhq Chain D Binding Site BS01

Receptor Information
>3fhq Chain D (length=597) 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
NELAQALGRSPYDLYAGVDVEARGTSTPVQWEGLFPEEKAHTSLGLYRPD
WAFQSSETMEAFYEKELQFWVGSTGNPAETDGQSNWPGMAHWFPAKSTAT
SVPFVTHFNTGSGAQFSAEGKTVSEQEWNNRSLQDVLPTWRWIQHGGDLE
ATFSWEEAFEGGSSLQWHGSLAEGEHAQIELYQTELPISEGTSLTWTFKS
EHDNDLNVGFRLDDFRYVEGEQRESINGWTQWTLPLDAFAGQTITGLAFA
AEGNETGLAEFYTGQLAVGPAAPNVNVRQYDPDPSGIQLVWENVHHYRVY
KETKHGKELIGTSAGDRIYIEGLVEEVRLHIEALSETFVPSDARMID
Ligand information
Ligand IDBMA
InChIInChI=1S/C6H12O6/c7-1-2-3(8)4(9)5(10)6(11)12-2/h2-11H,1H2/t2-,3-,4+,5+,6-/m1/s1
InChIKeyWQZGKKKJIJFFOK-RWOPYEJCSA-N
SMILES
SoftwareSMILES
CACTVS 3.341OC[C@H]1O[C@@H](O)[C@@H](O)[C@@H](O)[C@@H]1O
OpenEye OEToolkits 1.5.0C(C1C(C(C(C(O1)O)O)O)O)O
CACTVS 3.341OC[CH]1O[CH](O)[CH](O)[CH](O)[CH]1O
OpenEye OEToolkits 1.5.0C([C@@H]1[C@H]([C@@H]([C@@H]([C@@H](O1)O)O)O)O)O
ACDLabs 10.04OC1C(O)C(OC(O)C1O)CO
FormulaC6 H12 O6
Namebeta-D-mannopyranose;
beta-D-mannose;
D-mannose;
mannose
ChEMBL
DrugBank
ZINCZINC000003830679
PDB chain3fhq Chain G Residue 1 [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)		Y131 E272 Y299
Binding residue
(residue number reindexed from 1)		Y130 E271 Y297
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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