Structure of PDB 5aa3 Chain A Binding Site BS01

Receptor Information
>5aa3 Chain A (length=417) Species: 1402513 (Pseudomonas aeruginosa BWHPSA013) [Search protein sequence] [Download receptor structure] [Download structure with residue number starting from 1] [View receptor structure]
GVLRVITRNSPATYFQDRNGETGFEYELAKRFAERLGVELKIETADNLDD
LYAQLSREGGPALAAAGLTPGREDDASVRYSHTYLDVTPQIIYRNGQQRP
TRPEDLVGKRIMVLKGSSHAEQLAELKKQYPELKYEESDAVEVVDLLRMV
DVGDIDLTLVDSNELAMNQVYFPNVRVAFDFGEARGLAWALPGGDDDSLM
NEVNAFLDQAKKEGLLQRLKDRYYGHVDVLGYVGAYTFAQHLQQRLPRYE
SHFKQSGKQKDTDWRLLAAIGYQESLWQPGATSKTGVRGLMMLTNRTAQA
MGVSNRLDPKQSIQGGSKYFVQIRSELPESIKEPDRSWFALAAYNIGGAH
LEDARKMAEKEGLNPNKWLDVKKMLPRLAQKQWYAKTRYGYARGGETVHF
VQNVRRYYDILTWVTQP
Ligand information
Ligand IDGLU
InChIInChI=1S/C5H9NO4/c6-3(5(9)10)1-2-4(7)8/h3H,1-2,6H2,(H,7,8)(H,9,10)/t3-/m0/s1
InChIKeyWHUUTDBJXJRKMK-VKHMYHEASA-N
SMILES
SoftwareSMILES
ACDLabs 12.01O=C(O)C(N)CCC(=O)O
OpenEye OEToolkits 1.7.0C(CC(=O)O)C(C(=O)O)N
OpenEye OEToolkits 1.7.0C(CC(=O)O)[C@@H](C(=O)O)N
CACTVS 3.370N[C@@H](CCC(O)=O)C(O)=O
CACTVS 3.370N[CH](CCC(O)=O)C(O)=O
FormulaC5 H9 N O4
NameGLUTAMIC ACID
ChEMBLCHEMBL575060
DrugBankDB00142
ZINCZINC000001482113
PDB chain5aa3 Chain A Residue 501 [Download ligand structure] [Download structure with residue number starting from 1] [View ligand structure]
Receptor-Ligand Complex Structure
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PDB5aa3 Activation by Allostery in Cell-Wall Remodeling by a Modular Membrane-Bound Lytic Transglycosylase from Pseudomonas aeruginosa.
Resolution3.2 Å
Binding residue
(original residue number in PDB)		R50 V155 L156 S159 H161 V185 L201
Binding residue
(residue number reindexed from 1)		R8 V113 L114 S117 H119 V143 L159
Annotation score4
Enzymatic activity
Enzyme Commision number 4.2.2.n1: peptidoglycan lytic exotransglycosylase.
Gene Ontology
Molecular Function
GO:0008933 lytic transglycosylase activity
GO:0016837 carbon-oxygen lyase activity, acting on polysaccharides
Biological Process
GO:0000270 peptidoglycan metabolic process
Cellular Component
GO:0016020 membrane

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Molecular Function
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Biological Process
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Cellular Component
External links
PDB RCSB:5aa3, PDBe:5aa3, PDBj:5aa3
PDBsum5aa3
PubMed27618662
UniProtQ9HXN1|MLTF_PSEAE Membrane-bound lytic murein transglycosylase F (Gene Name=mltF)

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