Structure of PDB 4jay Chain B Binding Site BS01

Receptor Information
>4jay Chain B (length=338) Species: 208964 (Pseudomonas aeruginosa PAO1) [Search protein sequence] [Download receptor structure] [Download structure with residue number starting from 1] [View receptor structure]
SLELQEHCSLKPYNTFGIDVRARLLAHARDEADVREALALARERGLPLLV
IGGGSNLLLTRDVEALVLRMASQGRRIVSDAADSVLVEAEAGEAWDPFVQ
WSLERGLAGLENLSLIPGTVGAAPMQNIGAYGVELKDVFDSLTALDRQDG
TLREFDRQACRFGYRDSLFKQEPDRWLILRVRLRLTRRERLHLDYGPVRQ
RLEEEGIASPTARDVSRVICAIRREKLPDPAVLGNAGSFFKNPLVDATQA
ERLRQAFPDLVGYPQADGRLKLAAGWLIDKGGWKGFRDGPVGVHAQQALV
LVNHGGATGAQVRALAERIQEDVRRRFGVELEPEPNLY
Ligand information
Ligand IDK
InChIInChI=1S/K/q+1
InChIKeyNPYPAHLBTDXSSS-UHFFFAOYSA-N
SMILES
SoftwareSMILES
ACDLabs 10.04
CACTVS 3.341
OpenEye OEToolkits 1.5.0		[K+]
FormulaK
NamePOTASSIUM ION
ChEMBLCHEMBL1233793
DrugBankDB01345
ZINC
PDB chain4jay Chain B Residue 401 [Download ligand structure] [Download structure with residue number starting from 1] [View ligand structure]
Receptor-Ligand Complex Structure
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PDB4jay Substrate Channel Flexibility in Pseudomonas aeruginosa MurB Accommodates Two Distinct Substrates.
Resolution2.23 Å
Binding residue
(original residue number in PDB)		N57 A237 G238 S239 E335 P336
Binding residue
(residue number reindexed from 1)		N56 A236 G237 S238 E334 P335
Annotation score1
Enzymatic activity
Catalytic site (original residue number in PDB) R166 S239 E335
Catalytic site (residue number reindexed from 1) R165 S238 E334
Enzyme Commision number 1.3.1.98: UDP-N-acetylmuramate dehydrogenase.
Gene Ontology
Molecular Function
GO:0008762 UDP-N-acetylmuramate dehydrogenase activity
GO:0016491 oxidoreductase activity
GO:0050660 flavin adenine dinucleotide binding
GO:0071949 FAD binding
Biological Process
GO:0008360 regulation of cell shape
GO:0009252 peptidoglycan biosynthetic process
GO:0051301 cell division
GO:0071555 cell wall organization
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:4jay, PDBe:4jay, PDBj:4jay
PDBsum4jay
PubMed23805286
UniProtQ9HZM7|MURB_PSEAE UDP-N-acetylenolpyruvoylglucosamine reductase (Gene Name=murB)

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