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 T14558 Target Info
Target Name Tryptase alpha/beta-1 (Tryptase)
Synonyms Tryptase-1; Tryptase alpha-1; Tryptase I; TPSB1; TPS2; TPS1
Target Type Successful Target
Gene Name TPSAB1
Biochemical Class Peptidase
UniProt ID
TRYB1_HUMAN
Ligand General Information  Top
Ligand Name L-Alpha-Glutamyl-N-{(1s)-4-{[amino(Iminio)methyl]amino}-1-[(1s)-2-Chloro-1-Hydroxyethyl]butyl}glycinamide Ligand Info
Canonical SMILES C(CC(C(CCl)O)NC(=O)CNC(=O)C(CCC(=O)O)N)C[NH+]=C(N)N
InChI 1S/C14H27ClN6O5/c15-6-10(22)9(2-1-5-19-14(17)18)21-11(23)7-20-13(26)8(16)3-4-12(24)25/h8-10,22H,1-7,16H2,(H,20,26)(H,21,23)(H,24,25)(H4,17,18,19)/p+1/t8-,9-,10+/m0/s1
InChIKey XELWNHKFCNMWQO-LPEHRKFASA-O
PubChem Compound ID 137347860
Drug Binding Sites of Target  Top
PDB ID: 6VVU      Anti-Tryptase fab E104.v1 bound to tryptase
Method X-ray diffraction Resolution 3.00 Å Mutation No [1]
PDB Sequence
IVGGQEAPRS
25
KWPWQVSLRV
35
HGPYWMHFCG
43
GSLIHPQWVL
53
TAAHCVGPDV
60C

KDLAALRVQL
68
REQHLYYQDQ
81
LLPVSRIIVH
91
PQFYTAQIGA
101
DIALLELEEP
111

VNVSSHVHTV
121
TLPPASETFP
131
PGMPCWVTGW
141
GDVDNDERLP
152
PPFPLKQVKV
160

PIMENHICDA
170
KYHLGAYTGD
173G
DVRIVRDDML
181
CAGNTRRDSC
191
QGDSGGPLVC
201

KVNGTWLQAG
211
VVSWGEGCAQ
221A
PNRPGIYTRV
231
TYYLDWIHHY
241
VPK
Residue
Distance (Å)
PHE41
4.600
CYS42
4.454
HIS57
1.393
CYS58
4.373
ALA97
4.454
GLN98
3.273
ASP189
3.024
SER190
3.169
CYS191
3.236
GLN192
2.924
GLY193
2.778
Residue
Distance (Å)
ASP194
4.003
SER195
1.321
VAL213
3.847
SER214
2.764
TRP215
3.507
GLY216
2.972
GLU217
4.619
GLY219
2.932
CYS220
4.463
GLY226
3.236
ILE227
4.503
PDB ID: 5WI6      Human beta-1 tryptase mutant Ile99Cys
Method X-ray diffraction Resolution 2.72 Å Mutation Yes [2]
PDB Sequence
IVGGQEAPRS
25
KWPWQVSLRV
35
HGPYWMHFCG
43
GSLIHPQWVL
53
TAAHCVGPDV
60C

KDLAALRVQL
68
REQHLYYQDQ
81
LLPVSRIIVH
91
PQFYTAQCGA
101
DIALLELEEP
111

VNVSSHVHTV
121
TLPPASETFP
131
PGMPCWVTGW
141
GDVDNDERLP
152
PPFPLKQVKV
160

PIMENHICDA
170
KYHLGAYTGD
173G
DVRIVRDDML
181
CAGNTRRDSC
191
QGDSGGPLVC
201

KVNGTWLQAG
211
VVSWGEGCAQ
221A
PNRPGIYTRV
231
TYYLDWIHHY
241
VPK
Residue
Distance (Å)
PHE41
4.849
CYS42
4.778
HIS57
1.448
CYS58
4.705
ALA97
4.253
GLN98
3.084
ASP189
3.144
SER190
2.925
CYS191
3.557
GLN192
3.266
GLY193
3.050
ASP194
3.998
Residue
Distance (Å)
SER195
1.389
VAL213
4.095
SER214
2.794
TRP215
3.555
GLY216
2.979
GLU217
3.360
GLY219
2.888
CYS220
4.254
GLY226
3.456
ILE227
4.754
TYR228
4.844
References  Top
REF 1 Bivalent antibody pliers inhibit Beta-tryptase by an allosteric mechanism dependent on the IgG hinge. Nat Commun. 2020 Dec 22;11(1):6435.
REF 2 Dual functionality of Beta-tryptase protomers as both proteases and cofactors in the active tetramer. J Biol Chem. 2018 Jun 22;293(25):9614-9628.

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