Target Binding Site Detail

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Target General Information
Ligand General Information
Drug Binding Sites of Target
References
Target General Information  Top
Target ID T90167 Target Info
Target Name Polyubiquitin-C (UBC)
Synonyms ubiquitin C; HMG20
Target Type Patented-recorded Target
Gene Name UBC
UniProt ID
UBC_HUMAN
Ligand General Information  Top
Ligand Name D-Alanine Ligand Info
Canonical SMILES CC(C(=O)O)N
InChI 1S/C3H7NO2/c1-2(4)3(5)6/h2H,4H2,1H3,(H,5,6)/t2-/m1/s1
InChIKey QNAYBMKLOCPYGJ-UWTATZPHSA-N
PubChem Compound ID 71080
Drug Binding Sites of Target  Top
PDB ID: 3RUL      New strategy to analyze structures of glycopeptide-target complexes
Method X-ray diffraction Resolution 2.50 Å Mutation No [1]
PDB Sequence
MQIFVKTLTG
10
KTITLEVEPS
20
DTIENVKAKI
30
QDKEGIPPDQ
40
QRLIFAGKQL
50

EDGRTLSDYN
60
IQKESTLHLV
70
LRLRGK
Residue
Distance (Å)
LYS77
1.329
Residue
Distance (Å)
PDB ID: 3VFK      The structure of monodechloro-teicoplanin in complex with its ligand, using ubiquitin as a ligand carrier
Method X-ray diffraction Resolution 2.80 Å Mutation No [2]
PDB Sequence
MQIFVKTLTG
10
KTITLEVEPS
20
DTIENVKAKI
30
QDKEGIPPDQ
40
QRLIFAGKQL
50

EDGRTLSDYN
60
IQKESTLHLV
70
LRLRGK
Residue
Distance (Å)
LYS77
1.326
Residue
Distance (Å)
References  Top
REF 1 A carrier protein strategy yields the structure of dalbavancin. J Am Chem Soc. 2012 Mar 14;134(10):4637-45.
REF 2 Structure of the complex between teicoplanin and a bacterial cell-wall peptide: use of a carrier-protein approach. Acta Crystallogr D Biol Crystallogr. 2013 Apr;69(Pt 4):520-33.

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