Structure of PDB 2p50 Chain A Binding Site BS01

Receptor Information
>2p50 Chain A (length=382) Species: 83333 (Escherichia coli K-12) [Search protein sequence] [Download receptor structure] [Download structure with residue number starting from 1] [View receptor structure]
MYALTQGRIFTGHEFLDDHAVVIADGLIKSVCPVAELPPEIEQRSLNGAI
LSPGFIDVQLNGCGGVQFNDTAEAVSVETLEIMQKANEKSGCTNYLPTLI
TTSDELMKQGVRVMREYLAKHPNQALGLHLEGPWLNLVKKGTHNPNFVRK
PDAALVDFLCENADVITKVTLAPEMVPAEVISKLANAGIVVSAGHSNATL
KEAKAGFRAGITFATHLYNAMPYITGREPGLAGAILDEADIYCGIIADGL
HVDYANIRNAKRLKGDKLCLVTDATAPAGANIEQFIFAGKTIYYRNGLCV
DENGTLSGSSLTMIEGVRNLVEHCGIALDEVLRMATLYPARAIGVEKRLG
TLAAGKVANLTAFTPDFKITKTIVNGNEVVTQ
Ligand information
Ligand IDZN
InChIInChI=1S/Zn/q+2
InChIKeyPTFCDOFLOPIGGS-UHFFFAOYSA-N
SMILES
SoftwareSMILES
CACTVS 3.341[Zn++]
ACDLabs 10.04
OpenEye OEToolkits 1.5.0		[Zn+2]
FormulaZn
NameZINC ION
ChEMBLCHEMBL1236970
DrugBankDB14532
ZINC
PDB chain2p50 Chain A Residue 601 [Download ligand structure] [Download structure with residue number starting from 1] [View ligand structure]
Receptor-Ligand Complex Structure
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PDB2p50 Structural Diversity within the Mononuclear and Binuclear Active Sites of N-Acetyl-d-glucosamine-6-phosphate Deacetylase.
Resolution2.2 Å
Binding residue
(original residue number in PDB)		E131 H195 H216
Binding residue
(residue number reindexed from 1)		E131 H195 H216
Annotation score1
Enzymatic activity
Enzyme Commision number 3.5.1.25: N-acetylglucosamine-6-phosphate deacetylase.
Gene Ontology
Molecular Function
GO:0008270 zinc ion binding
GO:0008448 N-acetylglucosamine-6-phosphate deacetylase activity
GO:0016787 hydrolase activity
GO:0016810 hydrolase activity, acting on carbon-nitrogen (but not peptide) bonds
GO:0042802 identical protein binding
GO:0046872 metal ion binding
GO:0047419 N-acetylgalactosamine-6-phosphate deacetylase activity
Biological Process
GO:0006040 amino sugar metabolic process
GO:0006044 N-acetylglucosamine metabolic process
GO:0006046 N-acetylglucosamine catabolic process
GO:0019262 N-acetylneuraminate catabolic process
GO:0051289 protein homotetramerization
Cellular Component
GO:0032991 protein-containing complex

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Molecular Function
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Biological Process
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Cellular Component
External links
PDB RCSB:2p50, PDBe:2p50, PDBj:2p50
PDBsum2p50
PubMed17567048
UniProtP0AF18|NAGA_ECOLI N-acetylglucosamine-6-phosphate deacetylase (Gene Name=nagA)

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