Structure of PDB 4oxv Chain A Binding Site BS01

Receptor Information
>4oxv Chain A (length=424) Species: 1134459 (Pseudomonas aeruginosa PADK2_CF510) [Search protein sequence] [Download receptor structure] [Download structure with residue number starting from 1] [View receptor structure]
APTALERVQKEGVLRVITRNSPATYFQDRNGETGFEYELAKRFAERLGVE
LKIETADNLDDLYAQLSREGGPALAAAGLTPDASVRYSHTYLDVTPQIIY
RNGQQRPTRPEDLVGKRIMVLKGSSHAEQLAELKKQYPELKYEESDAVEV
VDLLRMVDVGDIDLTLVDSNELAMNQVYFPNVRVAFDFGEARGLAWALPG
GDDDSLMNEVNAFLDQAKKEGLLQRLKDRYYGHVDVLGYVGAYTFAQHLQ
QRLPRYESHFKQSGKQLDTDWRLLAAIGYQESLWQPGATSKTGVRGLMML
TNRTAQAMGVSNRLDPKQSIQGGSKYFVQIRSELPESIKEPDRSWFALAA
YNIGGAHLEDARKMAEKEGLNPNKWLDVKKMLPRLAQKQWYAKTRYGYAR
GGETVHFVQNVRRYYDILTWVTQP
Ligand information
Ligand IDVAL
InChIInChI=1S/C5H11NO2/c1-3(2)4(6)5(7)8/h3-4H,6H2,1-2H3,(H,7,8)/t4-/m0/s1
InChIKeyKZSNJWFQEVHDMF-BYPYZUCNSA-N
SMILES
SoftwareSMILES
ACDLabs 10.04O=C(O)C(N)C(C)C
OpenEye OEToolkits 1.5.0CC(C)C(C(=O)O)N
OpenEye OEToolkits 1.5.0CC(C)[C@@H](C(=O)O)N
CACTVS 3.341CC(C)[C@H](N)C(O)=O
CACTVS 3.341CC(C)[CH](N)C(O)=O
FormulaC5 H11 N O2
NameVALINE
ChEMBLCHEMBL43068
DrugBankDB00161
ZINCZINC000000895099
PDB chain4oxv 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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PDB4oxv Crystal structure of MltF from Pseudomonas aeruginosa complexed with valine
Resolution2.2 Å
Binding residue
(original residue number in PDB)		G109 T111 S159 S160 D203
Binding residue
(residue number reindexed from 1)		G78 T80 S124 S125 D168
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:4oxv, PDBe:4oxv, PDBj:4oxv
PDBsum4oxv
PubMed
UniProtA0A0J9X1Z1

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