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 Methyl 4-aminobutanoate Ligand Info
Canonical SMILES COC(=O)CCCN
InChI 1S/C5H11NO2/c1-8-5(7)3-2-4-6/h2-4,6H2,1H3
InChIKey KVQGGLZHHFGHPU-UHFFFAOYSA-N
PubChem Compound ID 18614
Drug Binding Sites of Target  Top
PDB ID: 1XD3      Crystal structure of UCHL3-UbVME complex
Method X-ray diffraction Resolution 1.45 Å Mutation No [1]
PDB Sequence
MQIFVKTLTG
10
KTITLEVEPS
20
DTIENVKAKI
30
QDKEGIPPDQ
40
QRLIFAGKQL
50

EDGRTLSDYN
60
IQKESTLHLV
70
LRLRG
Residue
Distance (Å)
ARG74
4.304
Residue
Distance (Å)
GLY75
1.327
PDB ID: 4I6N      Crystal structure of Trichinella spiralis UCH37 catalytic domain bound to Ubiquitin vinyl methyl ester
Method X-ray diffraction Resolution 1.70 Å Mutation No [2]
PDB Sequence
QIFVKTLTGK
11
TITLEVEPSD
21
TIENVKAKIQ
31
DKEGIPPDQQ
41
RLIFAGKQLE
51

DGRTLSDYNI
61
QKESTLHLVL
71
RLRG
Residue
Distance (Å)
ARG74
4.323
Residue
Distance (Å)
GLY75
1.352
PDB ID: 2J7Q      Crystal structure of the ubiquitin-specific protease encoded by murine cytomegalovirus tegument protein M48 in complex with a ubquitin-based suicide substrate
Method X-ray diffraction Resolution 1.80 Å Mutation No [3]
PDB Sequence
MQIFVKTLTG
10
KTITLEVEPS
20
DTIENVKAKI
30
QDKEGIPPDQ
40
QRLIFAGKQL
50

EDGRTLSDYN
60
IQKESTLHLV
70
LRLRG
Residue
Distance (Å)
ARG74
4.068
GLY75
1.304
Residue
Distance (Å)
GLN31
3.772
PDB ID: 4IG7      Crystal structure of Trichinella spiralis UCH37 bound to Ubiquitin vinyl methyl ester
Method X-ray diffraction Resolution 2.00 Å Mutation No [2]
PDB Sequence
MQIFVKTLTG
10
KTITLEVEPS
20
DTIENVKAKI
30
QDKEGIPPDQ
40
QRLIFAGKQL
50

EDGRTLSDYN
60
IQKESTLHLV
70
LRLRG
Click to Show 3D Structure of This Binding Site
set background white;style ions nothing; color 8e8e8e;style chemicals nothing; select .GVE or .GVE2 or .GVE3 or :3GVE;style chemicals stick;color identity;select .B:74 or .B:75; color #f3c393; zoom selection;set surface opacity 0.5;set surface Van der Waals surface;set mode all
Residue
Distance (Å)
ARG74
4.352
Residue
Distance (Å)
GLY75
1.342
PDB ID: 3IFW      Crystal structure of the S18Y variant of ubiquitin carboxy terminal hydrolase L1 bound to ubiquitin vinylmethylester.
Method X-ray diffraction Resolution 2.40 Å Mutation Yes [4]
PDB Sequence
MQIFVKTLTG
10
KTITLEVEPS
20
DTIENVKAKI
30
QDKEGIPPDQ
40
QRLIFAGKQL
50

EDGRTLSDYN
60
IQKESTLHLV
70
LRLRG
Click to Show 3D Structure of This Binding Site
set background white;style ions nothing; color 8e8e8e;style chemicals nothing; select .GVE or .GVE2 or .GVE3 or :3GVE;style chemicals stick;color identity;select .B:74 or .B:75; color #00ffc7; zoom selection;set surface opacity 0.5;set surface Van der Waals surface;set mode all
Residue
Distance (Å)
ARG74
4.349
Residue
Distance (Å)
GLY75
1.333
PDB ID: 3KVF      Crystal structure of the I93M mutant of ubiquitin carboxy terminal hydrolase L1 bound to ubiquitin vinylmethylester
Method X-ray diffraction Resolution 2.80 Å Mutation Yes [4]
PDB Sequence
MQIFVKTLTG
10
KTITLEVEPS
20
DTIENVKAKI
30
QDKEGIPPDQ
40
QRLIFAGKQL
50

EDGRTLSDYN
60
IQKESTLHLV
70
LRLRG
Click to Show 3D Structure of This Binding Site
set background white;style ions nothing; color 8e8e8e;style chemicals nothing; select .GVE or .GVE2 or .GVE3 or :3GVE;style chemicals stick;color identity;select .B:74 or .B:75; color #f3c393; zoom selection;set surface opacity 0.5;set surface Van der Waals surface;set mode all
Residue
Distance (Å)
ARG74
4.420
Residue
Distance (Å)
GLY75
1.261
PDB ID: 3KW5      Crystal structure of ubiquitin carboxy terminal hydrolase L1 bound to ubiquitin vinylmethylester
Method X-ray diffraction Resolution 2.83 Å Mutation No [4]
PDB Sequence
MQIFVKTLTG
10
KTITLEVEPS
20
DTIENVKAKI
30
QDKEGIPPDQ
40
QRLIFAGKQL
50

EDGRTLSDYN
60
IQKESTLHLV
70
LRLRG
Click to Show 3D Structure of This Binding Site
set background white;style ions nothing; color 8e8e8e;style chemicals nothing; select .GVE or .GVE2 or .GVE3 or :3GVE;style chemicals stick;color identity;select .B:74 or .B:75; color #00ffc7; zoom selection;set surface opacity 0.5;set surface Van der Waals surface;set mode all
Residue
Distance (Å)
ARG74
4.601
Residue
Distance (Å)
GLY75
1.270
References  Top
REF 1 Structure of the ubiquitin hydrolase UCH-L3 complexed with a suicide substrate. J Biol Chem. 2005 Jan 14;280(2):1512-20.
REF 2 Stabilization of an unusual salt bridge in ubiquitin by the extra C-terminal domain of the proteasome-associated deubiquitinase UCH37 as a mechanism of its exo specificity. Biochemistry. 2013 May 21;52(20):3564-78.
REF 3 Structure of a herpesvirus-encoded cysteine protease reveals a unique class of deubiquitinating enzymes. Mol Cell. 2007 Mar 9;25(5):677-87.
REF 4 Ubiquitin vinyl methyl ester binding orients the misaligned active site of the ubiquitin hydrolase UCHL1 into productive conformation. Proc Natl Acad Sci U S A. 2010 May 18;107(20):9117-22.

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