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 T52450 Target Info
Target Name Matrix metalloproteinase-1 (MMP-1)
Synonyms Interstitial collagenase; Fibroblast collagenase; CLG
Target Type Successful Target
Gene Name MMP1
Biochemical Class Peptidase
UniProt ID
MMP1_HUMAN
Ligand General Information  Top
Ligand Name MMI270 Ligand Info
Canonical SMILES CC(C)C(C(=O)NO)N(CC1=CN=CC=C1)S(=O)(=O)C2=CC=C(C=C2)OC
InChI 1S/C18H23N3O5S/c1-13(2)17(18(22)20-23)21(12-14-5-4-10-19-11-14)27(24,25)16-8-6-15(26-3)7-9-16/h4-11,13,17,23H,12H2,1-3H3,(H,20,22)/t17-/m1/s1
InChIKey BSIZUMJRKYHEBR-QGZVFWFLSA-N
PubChem Compound ID 446504
Drug Binding Sites of Target  Top
PDB ID: 3AYK      CATALYTIC FRAGMENT OF HUMAN FIBROBLAST COLLAGENASE COMPLEXED WITH CGS-27023A, NMR, MINIMIZED AVERAGE STRUCTURE
Method Solution NMR Resolution N.A. Mutation No [1]
PDB Sequence
PRWEQTHLTY
16
RIENYTPDLP
26
RADVDHAIEK
36
AFQLWSNVTP
46
LTFTKVSEGQ
56

ADIMISFVRG
66
DHRDNSPFDG
76
PGGNLAHAFQ
86
PGPGIGGDAH
96
FDEDERWTNN
106

FREYNLHRVA
116
AHELGHSLGL
126
SHSTDIGALM
136
YPSYTFSGDV
146
QLAQDDIDGI
156

QAIYGRS
Residue
Distance (Å)
GLY79
3.596
ASN80
1.727
LEU81
1.876
ALA82
2.122
HIS83
2.453
ALA84
4.090
ARG114
3.113
VAL115
2.378
HIS118
2.183
GLU119
3.782
Residue
Distance (Å)
HIS122
2.371
HIS128
3.139
LEU135
3.753
MET136
4.706
TYR137
3.439
PRO138
2.323
SER139
2.489
TYR140
2.378
THR141
3.818
PDB ID: 4AYK      CATALYTIC FRAGMENT OF HUMAN FIBROBLAST COLLAGENASE COMPLEXED WITH CGS-27023A, NMR, 30 STRUCTURES
Method Solution NMR Resolution N.A. Mutation No [1]
PDB Sequence
VLTEGNPRWE
10
QTHLTYRIEN
20
YTPDLPRADV
30
DHAIEKAFQL
40
WSNVTPLTFT
50

KVSEGQADIM
60
ISFVRGDHRD
70
NSPFDGPGGN
80
LAHAFQPGPG
90
IGGDAHFDED
100

ERWTNNFREY
110
NLHRVAAHEL
120
GHSLGLSHST
130
DIGALMYPSY
140
TFSGDVQLAQ
150

DDIDGIQAIY
160
GRSQNPVQP
Residue
Distance (Å)
GLY79
3.580
ASN80
2.027
LEU81
1.840
ALA82
2.089
HIS83
2.403
ALA84
4.053
ARG114
2.379
VAL115
2.275
ALA117
4.784
HIS118
1.865
Residue
Distance (Å)
GLU119
3.877
HIS122
2.472
HIS128
2.960
LEU135
3.782
MET136
4.260
TYR137
2.994
PRO138
2.106
SER139
2.496
TYR140
2.423
THR141
4.121
References  Top
REF 1 NMR solution structure of the catalytic fragment of human fibroblast collagenase complexed with a sulfonamide derivative of a hydroxamic acid compound. Biochemistry. 1999 Jun 1;38(22):7085-96.

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