Structure of PDB 4y7u Chain A Binding Site BS03

Receptor Information
>4y7u Chain A (length=224) Species: 931281 (Pseudomonas putida BIRD-1) [Search protein sequence] [Download receptor structure] [Download structure with residue number starting from 1] [View receptor structure]
MKAMILAAGKGERMRPLTLHTPKPLVPVAGQPLIEYHLRALAAAGVTEVV
INHAWLGQQIEDHLGDGSRFGLSIRYSPEGEPLETGGGIFKALPLLGDAP
FLLVNGDVWTDYDFARLQAPLQGLAHLVLVDNPGHHGRGDFRLVGEQVVD
GDDAPGTLTFSGISVLHPALFEGCQAGAFKLAPLLRQAMAAGKVSGEHYR
GHWVDVGTLERLAEAESLIGERAL
Ligand information
Ligand ID491
InChIInChI=1S/C11H20NO11P/c1-4(10(16)17)21-9-7(12-5(2)14)11(23-24(18,19)20)22-6(3-13)8(9)15/h4,6-9,11,13,15H,3H2,1-2H3,(H,12,14)(H,16,17)(H2,18,19,20)/t4-,6-,7-,8-,9-,11-/m1/s1
InChIKeyDTSXRQWOCZUNPL-YVNCZSHWSA-N
SMILES
SoftwareSMILES
OpenEye OEToolkits 1.9.2CC(C(=O)O)OC1C(C(OC(C1O)CO)OP(=O)(O)O)NC(=O)C
CACTVS 3.385C[CH](O[CH]1[CH](O)[CH](CO)O[CH](O[P](O)(O)=O)[CH]1NC(C)=O)C(O)=O
CACTVS 3.385C[C@@H](O[C@H]1[C@H](O)[C@@H](CO)O[C@H](O[P](O)(O)=O)[C@@H]1NC(C)=O)C(O)=O
OpenEye OEToolkits 1.9.2C[C@H](C(=O)O)O[C@@H]1[C@H]([C@H](O[C@@H]([C@H]1O)CO)OP(=O)(O)O)NC(=O)C
ACDLabs 12.01O=C(O)C(OC1C(O)C(OC(OP(=O)(O)O)C1NC(=O)C)CO)C
FormulaC11 H20 N O11 P
Name2-acetamido-3-O-[(1R)-1-carboxyethyl]-2-deoxy-1-O-phosphono-alpha-D-glucopyranose;
2-(acetylamino)-3-O-[(1R)-1-carboxyethyl]-2-deoxy-1-O-phosphono-alpha-D-glucopyranose;
N-acetyl-3-O-[(1R)-1-carboxyethyl]-1-O-phosphono-alpha-D-glucosamine;
2-acetamido-3-O-[(1R)-1-carboxyethyl]-2-deoxy-1-O-phosphono-alpha-D-glucose;
2-acetamido-3-O-[(1R)-1-carboxyethyl]-2-deoxy-1-O-phosphono-D-glucose;
2-acetamido-3-O-[(1R)-1-carboxyethyl]-2-deoxy-1-O-phosphono-glucose
ChEMBL
DrugBank
ZINCZINC000137019345
PDB chain4y7u Chain A Residue 307 [Download ligand structure] [Download structure with residue number starting from 1] [View ligand structure]
Receptor-Ligand Complex Structure
Global viewLocal viewStructure summary

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PDB4y7u Crystal Structure of the N-Acetylmuramic Acid alpha-1-Phosphate (MurNAc-alpha 1-P) Uridylyltransferase MurU, a Minimal Sugar Nucleotidyltransferase and Potential Drug Target Enzyme in Gram-negative Pathogens.
Resolution1.7 Å
Binding residue
(original residue number in PDB)		N105 D140 F160 W203 D205
Binding residue
(residue number reindexed from 1)		N105 D140 F160 W203 D205
Annotation score4
Enzymatic activity
Enzyme Commision number 2.7.7.99: N-acetyl-alpha-D-muramate 1-phosphate uridylyltransferase.
Gene Ontology
Molecular Function
GO:0000287 magnesium ion binding
GO:0002134 UTP binding
GO:0016779 nucleotidyltransferase activity
GO:0046872 metal ion binding
GO:0070569 uridylyltransferase activity
GO:0097367 carbohydrate derivative binding
Biological Process
GO:0008360 regulation of cell shape
GO:0009058 biosynthetic process
GO:0009252 peptidoglycan biosynthetic process
GO:0009254 peptidoglycan turnover
GO:0046677 response to antibiotic
GO:0071555 cell wall organization
GO:0097172 N-acetylmuramic acid metabolic process

View graph for
Molecular Function
View graph for
Biological Process
External links
PDB RCSB:4y7u, PDBe:4y7u, PDBj:4y7u
PDBsum4y7u
PubMed25767118
UniProtQ88QT2|MURU_PSEPK N-acetylmuramate alpha-1-phosphate uridylyltransferase (Gene Name=murU)

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