Local view for "http://wifo5-04.informatik.uni-mannheim.de/drugbank/resource/drugs/DB02314"
| Predicate | Value (sorted: default) |
|---|---|
| rdfs:label |
"Uridine-5'-Diphosphate-N-Acetylmuramoyl-L-Alanine-D-Glutamate"
|
| rdf:type | |
| ns1:description |
"
experimental
This compound belongs to the glycopeptides and derivatives. These are compounds in which a carbohydrate component is linked to a peptide/protein component.
Glycopeptides and Derivatives
Organic Compounds
Organic Acids and Derivatives
Carboxylic Acids and Derivatives
Amino Acids, Peptides, and Analogues
Pyrimidine Nucleotide Sugars
Pyrimidine Ribonucleoside Diphosphates
Mixed Pentose/Hexose Disaccharides
N-acyl-alpha-hexosamines
Disaccharide Phosphates
N-acyl-alpha Amino Acids
Alpha Amino Acid Amides
Organic Pyrophosphates
Amino Fatty Acids
Pyrimidones
Organophosphate Esters
Oxanes
Hydropyrimidines
Dicarboxylic Acids and Derivatives
Organic Phosphoric Acids
Tetrahydrofurans
Oxolanes
Secondary Carboxylic Acid Amides
Secondary Alcohols
1,2-Diols
Polyamines
Carboxylic Acids
Enolates
Ethers
Primary Alcohols
pyrimidine nucleotide sugar
pyrimidine ribonucleoside diphosphate
mixed pentose/hexose disaccharide
disaccharide phosphate
n-acyl-alpha-hexosamine
n-acyl-alpha-amino acid
n-glycosyl compound
glycosyl compound
n-acyl-alpha amino acid or derivative
alpha-amino acid amide
glucosamine
disaccharide
alpha-amino acid or derivative
organic pyrophosphate
amino sugar
pyrimidone
hydropyrimidine
pyrimidine
saccharide
dicarboxylic acid derivative
oxane
organic phosphate
phosphoric acid ester
oxolane
tetrahydrofuran
secondary alcohol
polyol
secondary carboxylic acid amide
carboxamide group
1,2-diol
ether
polyamine
primary alcohol
enolate
carboxylic acid
organonitrogen compound
alcohol
amine
logP
-1.2
ALOGPS
logS
-2
ALOGPS
Water Solubility
9.13e+00 g/l
ALOGPS
logP
-6
ChemAxon
IUPAC Name
(2R)-2-[(2S)-2-[(2R)-2-{[(2R,3S,4S,5R,6S)-2-({[({[(2S,3R,4R,5R)-5-(2,4-dioxo-1,2,3,4-tetrahydropyrimidin-1-yl)-3,4-dihydroxyoxolan-2-yl]methoxy}(hydroxy)phosphoryl)oxy](hydroxy)phosphoryl}oxy)-3-acetamido-5-hydroxy-6-(hydroxymethyl)oxan-4-yl]oxy}propanamido]propanamido]pentanedioic acid
ChemAxon
Traditional IUPAC Name
(2R)-2-[(2S)-2-[(2R)-2-{[(2R,3S,4S,5R,6S)-2-[({[(2S,3R,4R,5R)-5-(2,4-dioxo-3H-pyrimidin-1-yl)-3,4-dihydroxyoxolan-2-yl]methoxy(hydroxy)phosphoryl}oxy(hydroxy)phosphoryl)oxy]-3-acetamido-5-hydroxy-6-(hydroxymethyl)oxan-4-yl]oxy}propanamido]propanamido]pentanedioic acid
ChemAxon
Molecular Weight
879.6082
ChemAxon
Monoisotopic Weight
879.182405731
ChemAxon
SMILES
C[C@H](NC(=O)[C@@H](C)O[C@@H]1[C@@H](O)[C@H](CO)O[C@H](O[P@](O)(=O)O[P@@](O)(=O)OC[C@@H]2O[C@H]([C@H](O)[C@H]2O)N2C=CC(=O)NC2=O)[C@H]1NC(C)=O)C(=O)N[C@H](CCC(O)=O)C(O)=O
ChemAxon
Molecular Formula
C28H43N5O23P2
ChemAxon
InChI
InChI=1S/C28H43N5O23P2/c1-10(23(42)31-13(26(44)45)4-5-17(37)38)29-24(43)11(2)52-22-18(30-12(3)35)27(54-14(8-34)20(22)40)55-58(49,50)56-57(47,48)51-9-15-19(39)21(41)25(53-15)33-7-6-16(36)32-28(33)46/h6-7,10-11,13-15,18-22,25,27,34,39-41H,4-5,8-9H2,1-3H3,(H,29,43)(H,30,35)(H,31,42)(H,37,38)(H,44,45)(H,47,48)(H,49,50)(H,32,36,46)/t10-,11+,13+,14-,15-,18-,19-,20-,21+,22-,25+,27+/m0/s1
ChemAxon
InChIKey
InChIKey=OJZCATPXPWFLHF-OVXNVHGFSA-N
ChemAxon
Polar Surface Area (PSA)
422.21
ChemAxon
Refractivity
178.27
ChemAxon
Polarizability
77.12
ChemAxon
Rotatable Bond Count
20
ChemAxon
H Bond Acceptor Count
20
ChemAxon
H Bond Donor Count
12
ChemAxon
pKa (strongest acidic)
1.73
ChemAxon
Physiological Charge
-4
ChemAxon
Number of Rings
3
ChemAxon
Bioavailability
0
ChemAxon
MDDR-Like Rule
true
ChemAxon
ChEBI
46143
PubChem Compound
46936346
PubChem Substance
46505208
PDB
UAG
BE0001538
UDP-N-acetylmuramoyl-L-alanyl-D-glutamate--2,6-diaminopimelate ligase
Escherichia coli (strain K12)
# Overington JP, Al-Lazikani B, Hopkins AL: How many drug targets are there? Nat Rev Drug Discov. 2006 Dec;5(12):993-6. "Pubmed":http://www.ncbi.nlm.nih.gov/pubmed/17139284
# Imming P, Sinning C, Meyer A: Drugs, their targets and the nature and number of drug targets. Nat Rev Drug Discov. 2006 Oct;5(10):821-34. "Pubmed":http://www.ncbi.nlm.nih.gov/pubmed/17016423
unknown
UDP-N-acetylmuramoyl-L-alanyl-D-glutamate--2,6-diaminopimelate ligase
Cell wall/membrane/envelope biogenesis
Cell wall formation. Diaminopimelic acid adding enzyme
murE
Cytoplasm (Probable)
None
5.53
53344.0
Escherichia coli (strain K12)
GenBank Gene Database
X55814
GenBank Protein Database
296014
UniProtKB
P22188
UniProt Accession
MURE_ECOLI
EC 6.3.2.13
Meso- diaminopimelate-adding enzyme
UDP-MurNAc-tripeptide synthetase
UDP-N-acetylmuramyl-tripeptide synthetase
>UDP-N-acetylmuramoylalanyl-D-glutamate--2,6-diaminopimelate ligase
MADRNLRDLLAPWVPDAPSRALREMTLDSRVAAAGDLFVAVVGHQADGRRYIPQAIAQGV
AAIIAEAKDEATDGEIREMHGVPVIYLSQLNERLSALAGRFYHEPSDNLRLVGVTGTNGK
TTTTQLLAQWSQLLGEISAVMGTVGNGLLGKVIPTENTTGSAVDVQHELAGLVDQGATFC
AMEVSSHGLVQHRVAALKFAASVFTNLSRDHLDYHGDMEHYEAAKWLLYSEHHCGQAIIN
ADDEVGRRWLAKLPDAVAVSMEDHINPNCHGRWLKATEVNYHDSGATIRFSSSWGDGEIE
SHLMGAFNVSNLLLALATLLALGYPLADLLKTAARLQPVCGRMEVFTAPGKPTVVVDYAH
TPDALEKALQAARLHCAGKLWCVFGCGGDRDKGKRPLMGAIAEEFADVAVVTDDNPRTEE
PRAIINDILAGMLDAGHAKVMEGRAEAVTCAVMQAKENDVVLVAGKGHEDYQIVGNQRLD
YSDRVTVARLLGVIA
>1488 bp
GTGGCAGATCGTAATTTGCGCGACCTTCTTGCTCCGTGGGTGCCAGACGCACCTTCGCGA
GCACTGCGAGAGATGACACTCGACAGCCGTGTGGCTGCGGCGGGCGATCTCTTTGTAGCT
GTAGTAGGTCATCAGGCGGACGGGCGTCGATATATCCCGCAGGCGATAGCGCAAGGTGTG
GCTGCCATTATTGCAGAGGCGAAAGATGAGGCGACCGATGGTGAAATCCGTGAAATGCAC
GGCGTACCGGTCATCTATCTCAGCCAGCTCAACGAGCGTTTATCTGCACTGGCGGGCCGC
TTTTACCATGAACCCTCTGACAATTTACGTCTCGTGGGCGTAACGGGCACCAACGGCAAA
ACCACGACTACCCAGCTGTTGGCGCAGTGGAGCCAACTGCTTGGCGAAATCAGCGCGGTA
ATGGGCACCGTTGGTAACGGCCTGCTGGGGAAAGTGATCCCGACAGAAAATACAACCGGT
TCGGCAGTCGATGTTCAGCATGAGCTGGCGGGGCTGGTGGATCAGGGCGCGACGTTTTGC
GCAATGGAAGTTTCCTCCCACGGGCTGGTACAGCACCGTGTGGCGGCATTGAAATTTGCG
GCGTCGGTCTTTACCAACTTAAGCCGCGATCACCTTGATTATCATGGTGATATGGAACAC
TACGAAGCCGCGAAATGGCTGCTTTATTCTGAGCATCATTGCGGTCAGGCGATTATTAAC
GCCGACGATGAAGTGGGCCGCCGCTGGCTGGCAAAACTGCCGGACGCGGTTGCGGTATCA
ATGGAAGATCATATTAATCCGAACTGTCACGGACGCTGGTTGAAAGCGACCGAAGTGAAC
TATCACGACAGCGGTGCGACGATTCGCTTTAGCTCAAGTTGGGGCGATGGCGAAATTGAA
AGCCATCTGATGGGCGCTTTTAACGTCAGCAACCTGCTGCTCGCGCTGGCGACACTGTTG
GCACTCGGCTATCCACTGGCTGATCTGCTGAAAACCGCCGCGCGTCTGCAACCGGTTTGC
GGACGTATGGAAGTGTTCACTGCGCCAGGCAAACCGACGGTGGTGGTGGATTACGCGCAT
ACGCCGGATGCACTGGAAAAAGCCTTACAGGCGGCGCGTCTGCACTGTGCGGGCAAGCTG
TGGTGTGTCTTTGGCTGTGGTGGCGATCGCGATAAAGGTAAGCGTCCACTGATGGGCGCA
ATTGCCGAAGAGTTTGCTGACGTGGCGGTGGTGACGGACGATAACCCGCGTACCGAAGAA
CCGCGTGCCATCATCAACGATATTCTGGCGGGAATGTTAGATGCCGGACATGCCAAAGTG
ATGGAAGGCCGTGCTGAAGCGGTGACTTGCGCCGTTATGCAGGCTAAAGAGAATGATGTG
GTACTGGTCGCGGGCAAAGGCCATGAAGATTACCAGATTGTTGGCAATCAGCGTCTGGAC
TACTCCGATCGCGTCACGGTGGCGCGTCTGCTGGGGGTGATTGCATGA
PF02875
Mur_ligase_C
PF08245
Mur_ligase_M
PF01225
Mur_ligase
component
cell
component
intracellular
component
cytoplasm
function
catalytic activity
function
ATP binding
function
ligase activity
function
binding
function
nucleotide binding
function
purine nucleotide binding
function
adenyl nucleotide binding
function
ligase activity, forming carbon-nitrogen bonds
function
acid-amino acid ligase activity
process
development
process
cell wall organization and biogenesis
process
cell division
process
cell wall organization and biogenesis (sensu Bacteria)
process
morphogenesis
process
cell wall biosynthesis (sensu Bacteria)
process
cellular morphogenesis
process
regulation of cell shape
process
metabolism
process
macromolecule metabolism
process
cellular carbohydrate metabolism
process
peptidoglycan metabolism
process
physiological process
process
peptidoglycan biosynthesis
process
cellular physiological process
process
cell organization and biogenesis
process
biosynthesis
process
external encapsulating structure organization and biogenesis
process
carbohydrate metabolism
BE0001258
UDP-N-acetylmuramoylalanine--D-glutamate ligase
Escherichia coli (strain K12)
# Overington JP, Al-Lazikani B, Hopkins AL: How many drug targets are there? Nat Rev Drug Discov. 2006 Dec;5(12):993-6. "Pubmed":http://www.ncbi.nlm.nih.gov/pubmed/17139284
# Imming P, Sinning C, Meyer A: Drugs, their targets and the nature and number of drug targets. Nat Rev Drug Discov. 2006 Oct;5(10):821-34. "Pubmed":http://www.ncbi.nlm.nih.gov/pubmed/17016423
unknown
UDP-N-acetylmuramoylalanine--D-glutamate ligase
Cell wall/membrane/envelope biogenesis
Cell wall formation. Catalyzes the addition of glutamate to the nucleotide precursor UDP-N-acetylmuramoyl-L-alanine (UMA)
murD
Cytoplasm
None
4.96
46974.0
Escherichia coli (strain K12)
GenBank Gene Database
X51584
GenBank Protein Database
42060
UniProtKB
P14900
UniProt Accession
MURD_ECOLI
D-glutamic acid- adding enzyme
EC 6.3.2.9
UDP-N- acetylmuramoyl-L-alanyl-D-glutamate synthetase
>UDP-N-acetylmuramoylalanine--D-glutamate ligase
MADYQGKNVVIIGLGLTGLSCVDFFLARGVTPRVMDTRMTPPGLDKLPEAVERHTGSLND
EWLMAADLIVASPGIALAHPSLSAAADAGIEIVGDIELFCREAQAPIVAITGSNGKSTVT
TLVGEMAKAAGVNVGVGGNIGLPALMLLDDECELYVLELSSFQLETTSSLQAVAATILNV
TEDHMDRYPFGLQQYRAAKLRIYENAKVCVVNADDALTMPIRGADERCVSFGVNMGDYHL
NHQQGETWLRVKGEKVLNVKEMKLSGQHNYTNALAALALADAAGLPRASSLKALTTFTGL
PHRFEVVLEHNGVRWINDSKATNVGSTEAALNGLHVDGTLHLLLGGDGKSADFSPLARYL
NGDNVRLYCFGRDGAQLAALRPEVAEQTETMEQAMRLLAPRVQPGDMVLLSPACASLDQF
KNFEQRGNEFARLAKELG
>1317 bp
ATGGCTGATTATCAGGGTAAAAATGTCGTCATTATCGGCCTGGGCCTCACCGGGCTTTCC
TGCGTGGACTTTTTCCTCGCTCGCGGTGTGACGCCGCGCGTTATGGATACGCGTATGACA
CCGCCTGGCCTGGATAAATTACCCGAAGCCGTAGAACGCCACACGGGCAGTCTGAATGAT
GAATGGCTGATGGCGGCAGATCTGATTGTCGCCAGTCCCGGTATTGCACTGGCGCATCCA
TCCTTAAGCGCTGCCGCTGATGCCGGAATCGAAATCGTTGGCGATATCGAGCTGTTCTGT
CGCGAAGCACAAGCACCGATTGTGGCGATTACCGGTTCTAACGGCAAAAGCACGGTCACC
ACGCTAGTGGGTGAAATGGCGAAAGCGGCGGGGGTTAACGTTGGTGTGGGTGGCAATATT
GGCCTGCCTGCGTTGATGCTACTGGATGATGAGTGTGAACTGTACGTGCTGGAACTGTCG
AGCTTCCAGCTGGAAACCACCTCCAGCTTACAGGCGGTAGCAGCGACCATTCTGAACGTG
ACTGAAGATCATATGGATCGCTATCCGTTTGGTTTACAACAGTATCGTGCAGCAAAACTG
CGCATTTACGAAAACGCGAAAGTTTGCGTGGTTAATGCTGATGATGCCTTAACAATGCCG
ATTCGCGGTGCGGATGAACGCTGCGTCAGCTTTGGCGTCAACATGGGTGACTATCACCTG
AATCATCAGCAGGGCGAAACCTGGCTGCGGGTTAAAGGCGAGAAAGTGCTGAATGTGAAA
GAGATGAAACTTTCCGGGCAGCATAACTACACCAATGCGCTGGCGGCGCTGGCGCTGGCA
GATGCTGCAGGGTTACCGCGTGCCAGCAGCCTGAAAGCGTTAACCACATTCACTGGTCTG
CCGCATCGCTTTGAAGTTGTGCTGGAGCATAACGGCGTACGTTGGATTAACGATTCGAAA
GCGACCAACGTCGGCAGTACGGAAGCGGCGCTGAATGGCCTGCACGTAGACGGCACACTG
CATTTGTTGCTGGGTGGCGATGGTAAATCGGCGGACTTTAGCCCACTGGCGCGTTACCTG
AATGGCGATAACGTACGTCTGTATTGTTTCGGTCGTGACGGCGCGCAGCTGGCGGCGCTA
CGCCCGGAAGTGGCAGAACAAACCGAAACTATGGAACAGGCGATGCGCTTGCTGGCTCCG
CGTGTTCAGCCGGGCGATATGGTTCTGCTCTCCCCAGCCTGTGCCAGCCTTGATCAGTTC
AAGAACTTTGAACAACGAGGCAATGAGTTTGCCCGTCTGGCGAAGGAGTTAGGTTGA
PF02875
Mur_ligase_C
PF08245
Mur_ligase_M
component
cell
component
intracellular
component
cytoplasm
function
adenyl nucleotide binding
function
ligase activity, forming carbon-nitrogen bonds
function
acid-amino acid ligase activity
function
catalytic activity
function
ATP binding
function
ligase activity
function
UDP-N-acetylmuramoylalanine-D-glutamate ligase activity
function
binding
function
nucleotide binding
function
purine nucleotide binding
process
cellular physiological process
process
cell organization and biogenesis
process
biosynthesis
process
external encapsulating structure organization and biogenesis
process
carbohydrate metabolism
process
development
process
cell wall organization and biogenesis
process
cell division
process
cell wall organization and biogenesis (sensu Bacteria)
process
morphogenesis
process
cell wall biosynthesis (sensu Bacteria)
process
cellular morphogenesis
process
regulation of cell shape
process
metabolism
process
macromolecule metabolism
process
cellular carbohydrate metabolism
process
peptidoglycan metabolism
process
physiological process
process
peptidoglycan biosynthesis
"
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| owl:sameAs |
All properties reside in the graph file:///home/swish/src/ClioPatria/guidelines/drugbank_small.nt
The resource does not appear as an object