Structure of PDB 8c0u Chain A Binding Site BS02

Receptor Information
>8c0u Chain A (length=363) Species: 287 (Pseudomonas aeruginosa) [Search protein sequence] [Download receptor structure] [Download structure with residue number starting from 1] [View receptor structure]
MPRYLGLMSGTSLDGMDIVLIEQGDRTTLLASHYLPMPAGLREDILALCV
PGPDEIARAAEVEQRWVALAAQGVRELLLQQQMSPDEVRAIGSHGQTIRH
EPARHFTVQIGNPALLAELTGIDVVADFRRRDVAAGGQGAPLVPAFHQAL
FGDDDTSRAVLNIGGFSNVSLLSPGKPVRGFDCGPGNVLMDAWIHHQRGE
HFDRDGAWAASGQVNHALLASLLADEFFAARGPKSTGRERFNLPWLQEHL
ARHPALPAADIQATLLELSARSISESLLDAQPDCEEVLVCGGGAFNTALM
KRLAMLMPEARVASTDEYGIPPAWMEGMAFAWLAHRFLERLPGNCPDVTG
ALGPRTLGALYPA
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 chain8c0u Chain A Residue 402 [Download ligand structure] [Download structure with residue number starting from 1] [View ligand structure]
Receptor-Ligand Complex Structure
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PDB8c0u Catalytic process of anhydro-N-acetylmuramic acid kinase (AnmK) from Pseudomonas aeruginosa.
Resolution2.112 Å
Binding residue
(original residue number in PDB)		T97 H100 R129 P141 L142 V143 N168 D182 E326
Binding residue
(residue number reindexed from 1)		T97 H100 R129 P141 L142 V143 N168 D182 E326
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:8c0u, PDBe:8c0u, PDBj:8c0u
PDBsum8c0u
PubMed37660917
UniProtQ9I5Q5|ANMK_PSEAE Anhydro-N-acetylmuramic acid kinase (Gene Name=anmK)

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