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 T03500 Target Info
Target Name Matrix metalloproteinase-12 (MMP-12)
Synonyms Macrophage metalloelastase; Macrophage elastase; MME; ME; HME
Target Type Clinical trial Target
Gene Name MMP12
Biochemical Class Peptidase
UniProt ID
MMP12_HUMAN
Ligand General Information  Top
Ligand Name 1,2-Dimyristoyl-sn-glycero-3-phosphocholine Ligand Info
Canonical SMILES CCCCCCCCCCCCCC(=O)OCC(COP(=O)([O-])OCC[N+](C)(C)C)OC(=O)CCCCCCCCCCCCC
InChI 1S/C36H72NO8P/c1-6-8-10-12-14-16-18-20-22-24-26-28-35(38)42-32-34(33-44-46(40,41)43-31-30-37(3,4)5)45-36(39)29-27-25-23-21-19-17-15-13-11-9-7-2/h34H,6-33H2,1-5H3/t34-/m1/s1
InChIKey CITHEXJVPOWHKC-UUWRZZSWSA-N
PubChem Compound ID 5459377
Drug Binding Sites of Target  Top
PDB ID: 2MLR      Membrane Bilayer complex with Matrix Metalloproteinase-12 at its Alpha-face
Method Solution NMR Resolution N.A. Mutation Yes [1]
PDB Sequence
FREMPGGPVW
109
RKHYITYRIN
119
NYTPDMNRED
129
VDYAIRKAFQ
139
VWSNVTPLKF
149

SKINTGMADI
159
LVVFARGAHG
169
DFHAFDGKGG
179
ILAHAFGPGS
189
GIGGDAHFDE
199

DEFWTTHSGG
209
TNLFLTAVHA
219
IGHSLGLGHS
229
SDPKAVMFPT
239
YKYVDINTFR
249

LSADDIRGIQ
259
SLYG
Residue
Distance (Å)
ASP129
4.880
TYR132
4.015
LYS177
1.807
GLY178
2.683
GLY179
3.669
THR205
3.460
HIS206
1.917
SER207
1.682
GLY208
2.633
GLY209
3.784
THR210
4.439
ASN211
4.662
ASP231
4.699
Residue
Distance (Å)
PRO232
2.730
LYS233
1.813
PHE237
3.941
TYR240
3.069
LYS241
1.773
TYR242
1.774
VAL243
3.269
ASP244
2.877
ILE245
4.135
ASN246
1.734
THR247
2.848
ARG249
3.358
ARG256
4.651
PDB ID: 2MLS      Membrane Bilayer complex with Matrix Metalloproteinase-12 at its Beta-face
Method Solution NMR Resolution N.A. Mutation Yes [1]
PDB Sequence
FREMPGGPVW
109
RKHYITYRIN
119
NYTPDMNRED
129
VDYAIRKAFQ
139
VWSNVTPLKF
149

SKINTGMADI
159
LVVFARGAHG
169
DFHAFDGKGG
179
ILAHAFGPGS
189
GIGGDAHFDE
199

DEFWTTHSGG
209
TNLFLTAVHA
219
IGHSLGLGHS
229
SDPKAVMFPT
239
YKYVDINTFR
249

LSADDIRGIQ
259
SLYG
Residue
Distance (Å)
LYS111
3.704
ARG117
1.683
ASN119
2.083
ASN120
3.311
TYR121
3.468
THR122
4.314
PRO123
2.518
ARG127
3.898
ASN153
3.641
THR154
1.673
GLY155
3.306
MET156
2.646
LEU160
3.110
VAL162
3.001
PHE163
3.599
ALA164
2.952
Residue
Distance (Å)
ARG165
1.672
GLY166
3.519
ALA167
2.570
HIS168
2.890
GLY169
1.831
ASP170
1.927
PHE171
2.057
ALA173
4.369
PHE185
4.087
SER189
3.041
GLY190
3.216
ILE191
2.459
GLY192
4.141
HIS196
3.375
GLU199
4.058
ASP200
3.874
References  Top
REF 1 Ambidextrous binding of cell and membrane bilayers by soluble matrix metalloproteinase-12. Nat Commun. 2014 Nov 21;5:5552.

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