Structure of PDB 4owd Chain A Binding Site BS01

Receptor Information
>4owd Chain A (length=428) Species: 208964 (Pseudomonas aeruginosa PAO1) [Search protein sequence] [Download receptor structure] [Download structure with residue number starting from 1] [View receptor structure]
PTALERVQKEGVLRVITRNSPATYFQDRNGETGFEYELAKRFAERLGVEL
KIETADNLDDLYAQLSREGGPALAAAGLTPGREDDASVRYSHTYLDVTPQ
IIYRNGQQRPTRPEDLVGKRIMVLKGSSHAEQLAELKKQYPELKYEESDA
VEVVDLLRMVDVGDIDLTLVDSNELAMNQVYFPNVRVAFDFGEARGLAWA
LPGGDDDSLMNEVNAFLDQAKKEGLLQRLKDRYYGHVDVLGYVGAYTFAQ
HLQQRLPRYESHFKQSGKQLDTDWRLLAAIGYQESLWQPGATSKTGVRGL
MMLTNRTAQAMGVSNRLDPKQSIQGGSKYFVQIRSELPESIKEPDRSWFA
LAAYNIGGAHLEDARKMAEKEGLNPNKWLDVKKMLPRLAQKQWYAKTRYG
YARGGETVHFVQNVRRYYDILTWVTQPQ
Ligand information
Ligand IDCYS
InChIInChI=1S/C3H7NO2S/c4-2(1-7)3(5)6/h2,7H,1,4H2,(H,5,6)/t2-/m0/s1
InChIKeyXUJNEKJLAYXESH-REOHCLBHSA-N
SMILES
SoftwareSMILES
CACTVS 3.341N[CH](CS)C(O)=O
OpenEye OEToolkits 1.5.0C([C@@H](C(=O)O)N)S
CACTVS 3.341N[C@@H](CS)C(O)=O
ACDLabs 10.04O=C(O)C(N)CS
OpenEye OEToolkits 1.5.0C(C(C(=O)O)N)S
FormulaC3 H7 N O2 S
NameCYSTEINE
ChEMBLCHEMBL863
DrugBankDB00151
ZINCZINC000000895042
PDB chain4owd Chain A Residue 501 [Download ligand structure] [Download structure with residue number starting from 1] [View ligand structure]
Receptor-Ligand Complex Structure
Global viewLocal viewStructure summary

[Spin on] [Spin off] [Reset]
[High quality] [Low quality]
[White background] [Black background]
[Spin on] [Spin off] [Reset]
[High quality] [Low quality]
[White background] [Black background]
PDB4owd Crystal structure of MltF from Pseudomonas aeruginosa complexed with cysteine
Resolution2.21 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 S127 S128 H129 D171
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

View graph for
Molecular Function
View graph for
Biological Process
View graph for
Cellular Component
External links
PDB RCSB:4owd, PDBe:4owd, PDBj:4owd
PDBsum4owd
PubMed
UniProtQ9HXN1|MLTF_PSEAE Membrane-bound lytic murein transglycosylase F (Gene Name=mltF)

[Back to BioLiP]