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 Adenosine-5-diphosphoribose Ligand Info
Canonical SMILES C1=NC(=C2C(=N1)N(C=N2)C3C(C(C(O3)COP(=O)(O)OP(=O)(O)OCC4C(C(C(O4)O)O)O)O)O)N
InChI 1S/C15H23N5O14P2/c16-12-7-13(18-3-17-12)20(4-19-7)14-10(23)8(21)5(32-14)1-30-35(26,27)34-36(28,29)31-2-6-9(22)11(24)15(25)33-6/h3-6,8-11,14-15,21-25H,1-2H2,(H,26,27)(H,28,29)(H2,16,17,18)/t5-,6-,8-,9-,10-,11-,14-,15+/m1/s1
InChIKey SRNWOUGRCWSEMX-ZQSHOCFMSA-N
PubChem Compound ID 447048
Drug Binding Sites of Target  Top
PDB ID: 6K2U      Crystal structure of Thr66 ADP-ribosylated ubiquitin
Method X-ray diffraction Resolution 2.55 Å Mutation No [1]
PDB Sequence
SMQIFVKTLT
9
GKTITLEVEP
19
SDTIENVKAK
29
IQDKEGIPPD
39
QQRLIFAGKQ
49

LEDGRTLSDY
59
NIQKESTLHL
69
VLR
Residue
Distance (Å)
PHE4
3.494
LYS6
3.382
GLU64
2.599
Residue
Distance (Å)
SER65
3.942
THR66
1.374
PDB ID: 6B7O      Crystal structure of Legionella effector sdeD (lpg2509) H67A in complex with ADP-ribosylated Ubiquitin
Method X-ray diffraction Resolution 1.85 Å Mutation Yes [2]
PDB Sequence
MQIFVKTLTG
10
KTITLEVEPS
20
DTIENVKAKI
30
QDKEGIPPDQ
40
QRLIFAGKQL
50

EDGRTLSDYN
60
IQKESTLHLV
70
LRLRGG
Residue
Distance (Å)
ARG42
1.516
Residue
Distance (Å)
GLN49
2.497
References  Top
REF 1 Threonine ADP-Ribosylation of Ubiquitin by a Bacterial Effector Family Blocks Host Ubiquitination. Mol Cell. 2020 May 21;78(4):641-652.e9.
REF 2 Mechanism of phosphoribosyl-ubiquitination mediated by a single Legionella effector. Nature. 2018 May;557(7707):729-733.

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