Binding Site Information of Target

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Target General Information
Drug Binding Sites of Target
References
Target General Information  Top
Target ID T92517 Target Info
Target Name Calpain-1 (CAPN1)
Synonyms muCANP; PIG30; Micromolar-calpain; Cell proliferation-inducing gene 30 protein; Calpain-1 large subunit; Calpain-1 catalytic subunit; Calpain mu-type; Calcium-activated neutral proteinase 1; CANPL1; CANP 1
Target Type Patented-recorded Target
Gene Name CAPN1
Biochemical Class Peptidase
UniProt ID
CAN1_HUMAN
Drug Binding Sites of Target  Top
Ligand Name: N-[(Benzyloxy)carbonyl]leucyl-N~1~-[3-Fluoro-1-(4-Hydroxybenzyl)-2-Oxopropyl]leucinamide Ligand Info
Structure Description Human calpain protease core inhibited by ZLLYCH2F PDB:1ZCM
Method X-ray diffraction Resolution 2.00 Å Mutation Yes [1]
PDB Sequence
NAIKYLGQDY
42
EQLRVRCLQS
52
GTLFRDEAFP
62
PVPQSLGYKD
72
LGPNSSKTYG
82

IKWKRPTELL
92
SNPQFIVDGA
102
TRTDICQGAL
112
GDCWLLAAIA
122
SLTLNDTLLH
132

RVVPHGQSFQ
142
NGYAGIFHFQ
152
LWQFGEWVDV
162
VVDDLLPIKD
172
GKLVFVHSAE
182

GNEFWSALLE
192
KAYAKVNGSY
202
EALSGGSTSE
212
AFEDFTGGVT
222
EWYELRKAPS
232

DLYQIILKAL
242
ERGSLLGCSI
252
DISSVLDMEA
262
ITFKKLVKGH
272
AYSVTGAKQV
282

NYRGQVVSLI
292
RMRNPWGEVE
302
WTGAWSDSSS
312
EWNNVDPYER
322
DQLRVKMEDG
332

EFWMSFRDFM
342
REFTRLEICN
352
L
Residue
Distance (Å)
GLN109
3.017
LEU112
4.193
GLY113
3.073
ASP114
3.587
CYS115
1.674
TRP116
3.325
SER206
3.354
GLY207
3.351
GLY208
2.935
Residue
Distance (Å)
SER209
4.632
THR210
3.557
SER251
4.148
MET260
4.277
GLU261
3.600
GLY271
3.505
HIS272
3.203
ALA273
3.885
GLU349
4.931
References  Top
REF 1 Molecular mode of action of a covalently inhibiting peptidomimetic on the human calpain protease core. Biochemistry. 2006 Jan 24;45(3):701-8.

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