Structure of PDB 4oz9 Chain A Binding Site BS01

Receptor Information
>4oz9 Chain A (length=424) Species: 208964 (Pseudomonas aeruginosa PAO1) [Search protein sequence] [Download receptor structure] [Download structure with residue number starting from 1] [View receptor structure]
PTALERVQKEGVLRVITRNSPATYFQDRNGETGFEYELAKRFAERLGVEL
KIETADNLDDLYAQLSREGGPALAAAGLTPGDDASVRYSHTYLDVTPQII
YRNGQQRPTRPEDLVGKRIMVLKGSSHAEQLAELKKQYPELKYEESDAVE
VVDLLRMVDVGDIDLTLVDSNELAMNQVYFPNVRVAFDFGEARGLAWALP
GGDDDSLMNEVNAFLDQAKKEGLLQRLKDRYYGHVDVLGYVGAYTFAQHL
QQRLPRYESHFKQSGKQLDTDWRLLAAIGYQESLWQPGATSKTGVRGLMM
LTNRTAQAMGVSNRLDPKQSIQGGSKYFVQIRSELPESIKEPDRSWFALA
AYNIGGAHLEDARKMAEKEGLNPNKWLDVKKMLPRLAQKQWYAKTRYGYA
RGGETVHFVQNVRRYYDILTWVTQ
Ligand information
Ligand IDILE
InChIInChI=1S/C6H13NO2/c1-3-4(2)5(7)6(8)9/h4-5H,3,7H2,1-2H3,(H,8,9)/t4-,5-/m0/s1
InChIKeyAGPKZVBTJJNPAG-WHFBIAKZSA-N
SMILES
SoftwareSMILES
OpenEye OEToolkits 1.5.0CC[C@H](C)[C@@H](C(=O)O)N
OpenEye OEToolkits 1.5.0CCC(C)C(C(=O)O)N
CACTVS 3.341CC[CH](C)[CH](N)C(O)=O
ACDLabs 10.04O=C(O)C(N)C(C)CC
CACTVS 3.341CC[C@H](C)[C@H](N)C(O)=O
FormulaC6 H13 N O2
NameISOLEUCINE
ChEMBLCHEMBL1233584
DrugBankDB00167
ZINCZINC000003581355
PDB chain4oz9 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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PDB4oz9 Crystal structure of MltF from Pseudomonas aeruginosa complexed with isoleucine
Resolution2.24 Å
Binding residue
(original residue number in PDB)		G109 L110 T111 S159 S160 H161 D203
Binding residue
(residue number reindexed from 1)		G77 L78 T79 S125 S126 H127 D169
Annotation score4
Enzymatic activity
Enzyme Commision number 4.2.2.n1: peptidoglycan lytic exotransglycosylase.
Gene Ontology
Molecular Function
GO:0008933 lytic transglycosylase activity
GO:0016829 lyase activity
GO:0016837 carbon-oxygen lyase activity, acting on polysaccharides
Biological Process
GO:0000270 peptidoglycan metabolic process
GO:0009253 peptidoglycan catabolic process
GO:0016998 cell wall macromolecule catabolic process
GO:0071555 cell wall organization
Cellular Component
GO:0009279 cell outer membrane
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:4oz9, PDBe:4oz9, PDBj:4oz9
PDBsum4oz9
PubMed
UniProtQ9HXN1|MLTF_PSEAE Membrane-bound lytic murein transglycosylase F (Gene Name=mltF)

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