Structure of PDB 4mo5 Chain C Binding Site BS01

Receptor Information
>4mo5 Chain C (length=351) Species: 287 (Pseudomonas aeruginosa) [Search protein sequence] [Download receptor structure] [Download structure with residue number starting from 1] [View receptor structure]
PRYLGLMSGTSLDGMDIVLIEQGDRTTLLASHYLPMPAGLREDILALCVP
GPDEIARAAEVEQRWVALAAQGVRELLLQQQMSPDEVRAIGSHGQTIRHE
PARHFTVQIGNPALLAELTGIDVVADFRRRDVAAGGQGAPLVPAFHQALF
GDDDTSRAVLNIGGFSNVSLLSPGKPVRGFDCGPGNVLMDAWIHHQRGEH
FDRDGAWAASGQVNHALLASLLADEFFFNLPWLQEHLARHPALPAADIQA
TLLELSARSISESLLDAQPDCEEVLVCGGGAFNTALMKRLAMLMPEARVA
STDEYGIPPAWMEGMAFAWLAHRFLERLPGNCPDVTGALGPRTLGALYPA
G
Ligand information
Ligand IDAH0
InChIInChI=1S/C11H17NO7/c1-4(10(15)16)18-9-7(12-5(2)13)11-17-3-6(19-11)8(9)14/h4,6-9,11,14H,3H2,1-2H3,(H,12,13)(H,15,16)/t4-,6-,7-,8-,9-,11-/m1/s1
InChIKeyZFEGYUMHFZOYIY-YVNCZSHWSA-N
SMILES
SoftwareSMILES
CACTVS 3.341C[CH](O[CH]1[CH](O)[CH]2CO[CH](O2)[CH]1NC(C)=O)C(O)=O
CACTVS 3.341C[C@@H](O[C@H]1[C@H](O)[C@H]2CO[C@H](O2)[C@@H]1NC(C)=O)C(O)=O
OpenEye OEToolkits 1.5.0CC(C(=O)O)OC1C(C2OCC(C1O)O2)NC(=O)C
OpenEye OEToolkits 1.5.0C[C@H](C(=O)O)O[C@@H]1[C@H]([C@@H]2OC[C@H]([C@H]1O)O2)NC(=O)C
ACDLabs 10.04O=C(O)C(OC2C(O)C1OC(OC1)C2NC(=O)C)C
FormulaC11 H17 N O7
Name2-(2-ACETYLAMINO-4-HYDROXY-6,8-DIOXA-BICYCLO[3.2.1]OCT-3-YLOXY)-PROPIONIC ACID;
1,6-anhydro-N-acetylmuramic acid
ChEMBL
DrugBank
ZINCZINC000034118661
PDB chain4mo5 Chain C Residue 401 [Download ligand structure] [Download structure with residue number starting from 1] [View ligand structure]
Receptor-Ligand Complex Structure
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PDB4mo5 Conformational Itinerary of Pseudomonas aeruginosa 1,6-Anhydro-N-acetylmuramic Acid Kinase during Its Catalytic Cycle.
Resolution1.75 Å
Binding residue
(original residue number in PDB)		T97 H100 R129 P141 L142 V143
Binding residue
(residue number reindexed from 1)		T96 H99 R128 P140 L141 V142
Annotation score4
Enzymatic activity
Enzyme Commision number 2.7.1.170: anhydro-N-acetylmuramic acid kinase.
Gene Ontology
Molecular Function
GO:0005524 ATP binding
GO:0016301 kinase activity
GO:0016773 phosphotransferase activity, alcohol group as acceptor
Biological Process
GO:0006040 amino sugar metabolic process
GO:0009254 peptidoglycan turnover
GO:0016310 phosphorylation
GO:0046677 response to antibiotic
GO:0097175 1,6-anhydro-N-acetyl-beta-muramic acid catabolic process

View graph for
Molecular Function
View graph for
Biological Process
External links
PDB RCSB:4mo5, PDBe:4mo5, PDBj:4mo5
PDBsum4mo5
PubMed24362022
UniProtQ9I5Q5|ANMK_PSEAE Anhydro-N-acetylmuramic acid kinase (Gene Name=anmK)

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