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 T98691 Target Info
Target Name HUMAN cathepsin L (CTSL)
Synonyms Major excreted protein; MEP; Cathepsin L1; CTSL1
Gene Name CTSL
Biochemical Class Peptidase
UniProt ID
CATL1_HUMAN
Ligand General Information  Top
Ligand Name (2S,4R)-4-(2-chlorophenyl)sulfonyl-N-[1-(iminomethyl)cyclopropyl]-1-[1-[4-(trifluoromethyl)phenyl]cyclopropyl]carbonyl-pyrrolidine-2-carboxamide Ligand Info
PubChem Substance ID 381343519
Drug Binding Sites of Target  Top
PDB ID: 2YJ9      CATHEPSIN L WITH A NITRILE INHIBITOR
Method X-ray diffraction Resolution 1.35 Å Mutation No [1]
PDB Sequence
APRSVDWREK
10
GYVTPVKNQG
20
QCGSCWAFSA
30
TGALEGQMFR
40
KTGRLISLSE
50

QNLVDCSGPQ
60
GNEGCNGGLM
70
DYAFQYVQDN
80
GGLDSEESYP
90
YEATEESCKY
100

NPKYSVANDT
110
GFVDIPKQEK
120
ALMKAVATVG
130
PISVAIDAGH
140
ESFLFYKEGI
150

YFEPDCSSED
160
MDHGVLVVGY
170
GFEDNNKYWL
184
VKNSWGEEWG
194
MGGYVKMAKD
204

RRNHCGIASA
214
ASYPTV
Residue
Distance (Å)
GLN19
2.979
CYS22
4.465
GLY23
2.235
SER24
3.516
CYS25
1.755
TRP26
2.071
GLY61
3.153
ASN62
3.347
GLU63
2.623
CYS65
4.383
ASN66
3.414
GLY67
2.504
GLY68
2.320
Residue
Distance (Å)
LEU69
2.761
MET70
3.326
ASP71
4.978
TYR72
2.698
VAL134
4.334
ALA135
2.688
ILE136
4.272
MET161
2.580
ASP162
1.944
HIS163
2.370
GLY164
2.635
TRP189
4.765
ALA214
3.264
PDB ID: 2YJB      CATHEPSIN L WITH A NITRILE INHIBITOR
Method X-ray diffraction Resolution 1.40 Å Mutation No [1]
PDB Sequence
APRSVDWREK
10
GYVTPVKNQG
20
QCGSCWAFSA
30
TGALEGQMFR
40
KTGRLISLSE
50

QNLVDCSGPQ
60
GNEGCNGGLM
70
DYAFQYVQDN
80
GGLDSEESYP
90
YEATEESCKY
100

NPKYSVANDT
110
GFVDIPKQEK
120
ALMKAVATVG
130
PISVAIDAGH
140
ESFLFYKEGI
150

YFEPDCSSED
160
MDHGVLVVGY
170
GFESTESDNN
180
KYWLVKNSWG
190
EEWGMGGYVK
200

MAKDRRNHCG
210
IASAASYPTV
220
Residue
Distance (Å)
GLN19
2.923
CYS22
4.660
GLY23
2.160
SER24
3.659
CYS25
1.773
TRP26
1.986
GLY61
3.033
ASN62
3.228
GLU63
2.581
CYS65
4.328
ASN66
3.621
GLY67
2.579
GLY68
2.379
LEU69
2.688
Residue
Distance (Å)
MET70
3.241
ASP71
4.808
TYR72
2.802
VAL134
4.263
ALA135
2.699
ILE136
4.257
GLU159
4.724
MET161
2.629
ASP162
2.079
HIS163
2.238
GLY164
2.417
TRP189
4.757
ALA214
3.247
References  Top
REF 1 Halogen bonding at the active sites of human cathepsin?L and MEK1 kinase: efficient interactions in different environments. ChemMedChem. 2011 Nov 4;6(11):2048-54.

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