Structure of PDB 4lzj Chain D Binding Site BS01

Receptor Information
>4lzj Chain D (length=297) Species: 727 (Haemophilus influenzae) [Search protein sequence] [Download receptor structure] [Download structure with residue number starting from 1] [View receptor structure]
LKSLSTLITEQRNPNSVDIDRQSTLEIVRLMNEEDKLVPLAIESCLPQIS
LAVEQIVQAFQQGGRLIYIGAGTSGRLGVLDASECPPTFGVSTEMVKGII
AGGECAIRHPVEGAEDNTKAVLNDLQSIHFSKNDVLVGIAASGRTPYVIA
GLQYAKSLGALTISIASNPKSEMAEIADIAIETIVGPEILTGSSRLKSGT
AQKMVLNMLTTASMILLGKCYENLMVDVQASNEKLKARAVRIVMQATDCN
KTLAEQTLLEADQNAKLAIMMILSTLSKSEAKVLLERHQGKLRNALS
Ligand information
Ligand IDPO4
InChIInChI=1S/H3O4P/c1-5(2,3)4/h(H3,1,2,3,4)/p-3
InChIKeyNBIIXXVUZAFLBC-UHFFFAOYSA-K
SMILES
SoftwareSMILES
CACTVS 3.341[O-][P]([O-])([O-])=O
ACDLabs 10.04[O-]P([O-])([O-])=O
OpenEye OEToolkits 1.5.0[O-]P(=O)([O-])[O-]
FormulaO4 P
NamePHOSPHATE ION
ChEMBL
DrugBankDB14523
ZINC
PDB chain4lzj Chain D Residue 401 [Download ligand structure] [Download structure with residue number starting from 1] [View ligand structure]
Receptor-Ligand Complex Structure
Global viewLocal viewStructure summary

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PDB4lzj Structure of MurNAc 6-phosphate hydrolase (MurQ) from Haemophilus influenzae with a bound inhibitor.
Resolution2.405 Å
Binding residue
(original residue number in PDB)		R149 P151
Binding residue
(residue number reindexed from 1)		R144 P146
Annotation score1
Enzymatic activity
Enzyme Commision number 4.2.1.126: N-acetylmuramic acid 6-phosphate etherase.
Gene Ontology
Molecular Function
GO:0016803 ether hydrolase activity
GO:0016829 lyase activity
GO:0016835 carbon-oxygen lyase activity
GO:0097367 carbohydrate derivative binding
Biological Process
GO:0006040 amino sugar metabolic process
GO:0009254 peptidoglycan turnover
GO:0046348 amino sugar catabolic process
GO:0097173 N-acetylmuramic acid catabolic process
GO:0097175 1,6-anhydro-N-acetyl-beta-muramic acid catabolic process
GO:1901135 carbohydrate derivative metabolic process

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Molecular Function
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Biological Process
External links
PDB RCSB:4lzj, PDBe:4lzj, PDBj:4lzj
PDBsum4lzj
PubMed24251551
UniProtP44862|MURQ_HAEIN N-acetylmuramic acid 6-phosphate etherase (Gene Name=murQ)

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