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 T79155 Target Info
Target Name Kallikrein-7 (KLK7)
Synonyms hK7; Stratum corneum chymotryptic enzyme; Serine protease 6; SCCE; PRSS6; HSCCE
Target Type Patented-recorded Target
Gene Name KLK7
Biochemical Class Peptidase
UniProt ID
KLK7_HUMAN
Ligand General Information  Top
Ligand Name 4-[[(2S)-1-[[(2S)-1-[(2S)-2-[[(2S,3S)-4-chloro-3-hydroxy-1-phenylbutan-2-yl]carbamoyl]pyrrolidin-1-yl]-1-oxopropan-2-yl]amino]-1-oxopropan-2-yl]amino]-4-oxobutanoic acid Ligand Info
Canonical SMILES CC(C(=O)NC(C)C(=O)N1CCCC1C(=O)NC(CC2=CC=CC=C2)C(CCl)O)NC(=O)CCC(=O)O
InChI 1S/C25H35ClN4O7/c1-15(27-21(32)10-11-22(33)34)23(35)28-16(2)25(37)30-12-6-9-19(30)24(36)29-18(20(31)14-26)13-17-7-4-3-5-8-17/h3-5,7-8,15-16,18-20,31H,6,9-14H2,1-2H3,(H,27,32)(H,28,35)(H,29,36)(H,33,34)/t15-,16-,18-,19-,20+/m0/s1
InChIKey NDDWTTUSJLUGKF-CZKCSJLSSA-N
PubChem Compound ID 137349631
Drug Binding Sites of Target  Top
PDB ID: 2QXI      High resolution structure of Human Kallikrein 7 in Complex with Suc-Ala-Ala-Pro-Phe-chloromethylketone
Method X-ray diffraction Resolution 1.00 Å Mutation No [1]
PDB Sequence
IIDGAPCARG
25
SHPWQVALLS
35
GNQLHCGGVL
46
VNERWVLTAA
56
HCKMNEYTVH
66

LGSDTLGDRR
77
AQRIKASKSF
89
RHPGYSTQTH
99
VNDLMLVKLN
109
SQARLSSMVK
119

KVRLPSRCEP
130
PGTTCTVSGW
141
GTTTSPDVTF
151
PSDLMCVDVK
161
LISPQDCTKV
171

YKDLLENSML
181
CAGIPDSKKN
189
ACNGDSGGPL
199
VCRGTLQGLV
213
SWGTFPCGQP
222

NDPGVYTQVC
232
KFTKWINDTM
242
KKHR
Residue
Distance (Å)
HIS41
4.872
CYS42
4.269
HIS57
1.502
CYS58
4.347
HIS99
3.755
LEU175
4.148
ALA190
3.425
CYS191
3.486
ASN192
3.628
GLY193
3.219
ASP194
3.702
Residue
Distance (Å)
SER195
1.403
VAL213
4.083
SER214
2.870
TRP215
3.175
GLY216
2.798
THR217
3.106
PHE218
2.706
PRO219
4.471
CYS220
3.631
GLN221
2.885
ASP224
4.578
PDB ID: 2QXH      Crystal Structure of Human Kallikrein 7 in Complex with Suc-Ala-Ala-Pro-Phe-chloromethylketone
Method X-ray diffraction Resolution 2.00 Å Mutation No [1]
PDB Sequence
IIDGAPCARG
25
SHPWQVALLS
35
GNQLHCGGVL
46
VNERWVLTAA
56
HCKMNEYTVH
66

LGSDTLGDRR
77
AQRIKASKSF
89
RHPGYSTQTH
99
VNDLMLVKLN
109
SQARLSSMVK
119

KVRLPSRCEP
130
PGTTCTVSGW
141
GTTTSPDVTF
151
PSDLMCVDVK
161
LISPQDCTKV
171

YKDLLENSML
181
CAGIPDSKKN
189
ACNGDSGGPL
199
VCRGTLQGLV
213
SWGTFPCGQP
222

NDPGVYTQVC
232
KFTKWINDTM
242
KKHR
Residue
Distance (Å)
HIS41
4.767
CYS42
4.242
HIS57
1.472
CYS58
4.313
HIS99
3.742
LEU175
3.868
ALA190
3.611
CYS191
3.424
ASN192
3.433
GLY193
3.269
Residue
Distance (Å)
ASP194
3.823
SER195
1.431
VAL213
4.165
SER214
2.723
TRP215
3.220
GLY216
2.784
THR217
2.898
PHE218
2.624
CYS220
3.642
GLN221
4.043
PDB ID: 2QXJ      Crystal Structure of Human Kallikrein 7 in Complex with Suc-Ala-Ala-Pro-Phe-chloromethylketone and Copper
Method X-ray diffraction Resolution 2.10 Å Mutation No [1]
PDB Sequence
IIDGAPCARG
25
SHPWQVALLS
35
GNQLHCGGVL
46
VNERWVLTAA
56
HCKMNEYTVH
66

LGSDTLGDRR
79
AQRIKASKSF
89
RHPGYSTQTH
99
VNDLMLVKLN
109
SQARLSSMVK
119

KVRLPSRCEP
130
PGTTCTVSGW
141
GTTTSPDVTF
151
PSDLMCVDVK
161
LISPQDCTKV
171

YKDLLENSML
181
CAGIPDSKKN
189
ACNGDSGGPL
199
VCRGTLQGLV
213
SWGTFPCGQP
222

NDPGVYTQVC
232
KFTKWINDTM
242
KKHR
Residue
Distance (Å)
HIS41
4.838
CYS42
4.461
HIS57
1.473
CYS58
4.554
HIS99
3.993
LEU175
3.981
ALA190
3.692
CYS191
3.294
ASN192
3.563
GLY193
3.197
Residue
Distance (Å)
ASP194
3.832
SER195
1.431
VAL213
4.136
SER214
2.932
TRP215
3.358
GLY216
2.821
THR217
3.634
PHE218
3.951
CYS220
3.509
References  Top
REF 1 Chymotryptic specificity determinants in the 1.0 A structure of the zinc-inhibited human tissue kallikrein 7. Proc Natl Acad Sci U S A. 2007 Oct 9;104(41):16086-91.

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