Local view for "http://wifo5-04.informatik.uni-mannheim.de/drugbank/resource/drugs/DB03590"
| Predicate | Value (sorted: none) |
|---|---|
| ns1:description |
"
experimental
This compound belongs to the alpha amino acids and derivatives. These are amino acids in which the amino group is attached to the carbon atom immediately adjacent to the carboxylate group (alpha carbon), or a derivative thereof.
Alpha Amino Acids and Derivatives
Organic Compounds
Organic Acids and Derivatives
Carboxylic Acids and Derivatives
Amino Acids, Peptides, and Analogues
Amino Fatty Acids
Dicarboxylic Acids and Derivatives
Polyols
Enolates
Carboxylic Acids
Polyamines
Monoalkylamines
dicarboxylic acid derivative
polyol
enolate
polyamine
carboxylic acid
amine
primary amine
primary aliphatic amine
organonitrogen compound
logP
-4.1
ALOGPS
logS
-1.1
ALOGPS
Water Solubility
1.41e+01 g/l
ALOGPS
logP
-5.5
ChemAxon
IUPAC Name
(2S,6S)-2,6-diaminoheptanedioic acid
ChemAxon
Traditional IUPAC Name
2,6-diaminopimelic acid
ChemAxon
Molecular Weight
190.1971
ChemAxon
Monoisotopic Weight
190.095356946
ChemAxon
SMILES
N[C@@H](CCC[C@H](N)C(O)=O)C(O)=O
ChemAxon
Molecular Formula
C7H14N2O4
ChemAxon
InChI
InChI=1S/C7H14N2O4/c8-4(6(10)11)2-1-3-5(9)7(12)13/h4-5H,1-3,8-9H2,(H,10,11)(H,12,13)/t4-,5-/m0/s1
ChemAxon
InChIKey
InChIKey=GMKMEZVLHJARHF-WHFBIAKZSA-N
ChemAxon
Polar Surface Area (PSA)
126.64
ChemAxon
Refractivity
43.64
ChemAxon
Polarizability
18.93
ChemAxon
Rotatable Bond Count
6
ChemAxon
H Bond Acceptor Count
6
ChemAxon
H Bond Donor Count
4
ChemAxon
pKa (strongest acidic)
1.85
ChemAxon
pKa (strongest basic)
9.83
ChemAxon
Physiological Charge
0
ChemAxon
Number of Rings
0
ChemAxon
Bioavailability
1
ChemAxon
Rule of Five
true
ChemAxon
ChEBI
23673
PubChem Compound
439283
PubChem Substance
46506904
PDB
API
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
purine nucleotide binding
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
binding
function
nucleotide binding
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
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
BE0001593
Meso-diaminopimelate D-dehydrogenase
Corynebacterium glutamicum (strain ATCC 13032 / DSM 20300 / JCM 1318 / LMG 3730 / NCIMB 10025)
# 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
Meso-diaminopimelate D-dehydrogenase
Involved in oxidoreductase activity, acting on the aldehyde or oxo group of donors, NAD or NADP as acceptor
Meso-2,6-diaminoheptanedioate + H(2)O + NADP(+) = L-2-amino-6-oxoheptanedioate + NH(3) + NADPH
ddh
None
5.19
35200.0
Corynebacterium glutamicum (strain ATCC 13032 / DSM 20300 / JCM 1318 / LMG 3730 / NCIMB 10025)
GenBank Gene Database
Y00151
GenBank Protein Database
40493
UniProtKB
P04964
UniProt Accession
DAPDH_CORGL
EC 1.4.1.16
>Meso-diaminopimelate D-dehydrogenase
MTNIRVAIVGYGNLGRSVEKLIAKQPDMDLVGIFSRRATLDTKTPVFDVADVDKHADDVD
VLFLCMGSATDIPEQAPKFAQFACTVDTYDNHRDIPRHRQVMNEAATAAGNVALVSTGWD
PGMFSINRVYAAAVLAEHQQHTFWGPGLSQGHSDALRRIPGVQKAVQYTLPSEDALEKAR
RGEAGDLTGKQTHKRQCFVVADAADHERIENDIRTMPDYFVGYEVEVNFIDEATFDSEHT
GMPHGGHVITTGDTGGFNHTVEYILKLDRNPDFTASSQIAFGRAAHRMKQQGQSGAFTVL
EVAPYLLSPENLDDLIARDV
>963 bp
ATGACCAACATCCGCGTAGCTATCGTGGGCTACGGAAACCTGGGACGCAGCGTCGAAAAG
CTTATTGCCAAGCAGCCCGACATGGACCTTGTAGGAATCTTCTCGCGCCGGGCCACCCTC
GACACAAAGACGCCAGTCTTTGATGTCGCCGACGTGGACAAGCACGCCGACGACGTGGAC
GTGCTGTTCCTGTGCATGGGCTCCGCCACCGACATCCCTGAGCAGGCACCAAAGTTCGCG
CAGTTCGCCTGCACCGTAGACACCTACGACAACCACCGCGACATCCCACGCCACCGCCAG
GTCATGAACGAAGCCGCCACCGCAGCCGGCAACGTTGCACTGGTCTCTACCGGCTGGGAT
CCAGGAATGTTCTCCATCAACCGCGTCTACGCAGCGGCAGTCTTAGCCGAGCACCAGCAG
CACACCTTCTGGGGCCCAGGTTTGTCACAGGGCCACTCCGATGCTTTGCGACGCATCCCT
GGCGTTCAAAAGGCAGTCCAGTACACCCTCCCATCCGAAGACGCCCTGGAAAAGGCCCGC
CGCGGCGAAGCCGGCGACCTTACCGGAAAGCAAACCCACAAGCGCCAATGCTTCGTGGTT
GCCGACGCGGCCGATCACGAGCGCATCGAAAACGACATCCGCACCATGCCTGATTACTTC
GTTGGCTACGAAGTCGAAGTCAACTTCATCGACGAAGCAACCTTCGACTCCGAGCACACC
GGCATGCCACACGGTGGCCACGTGATTACCACCGGCGACACCGGTGGCTTCAACCACACC
GTGGAATACATCCTCAAGCTGGACCGAAACCCAGATTTCACCGCTTCCTCACAGATCGCT
TTCGGTCGCGCAGCTCACCGCATGAAGCAGCAGGGCCAAAGCGGAGCTTTCACCGTCCTC
GAAGTTGCTCCATACCTGCTCTCCCCAGAGAACTTGGACGATCTGATCGCACGCGACGTC
TAA
PF01118
Semialdhyde_dh
component
cell
component
intracellular
component
cytoplasm
function
oxidoreductase activity
function
cofactor binding
function
coenzyme binding
function
binding
function
catalytic activity
function
NAD binding
function
oxidoreductase activity, acting on the aldehyde or oxo group of donors
function
oxidoreductase activity, acting on the aldehyde or oxo group of donors, NAD or NADP as acceptor
process
amino acid and derivative metabolism
process
physiological process
process
metabolism
process
cellular metabolism
process
amino acid metabolism
"
|
| rdfs:label |
"2,6-Diaminopimelic Acid"
|
| rdf:type | |
| 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