5UWN
Matrix metalloproteinase-13 complexed with selective inhibitor compound 10d
Functional Information from GO Data
Chain | GOid | namespace | contents |
A | 0004222 | molecular_function | metalloendopeptidase activity |
A | 0006508 | biological_process | proteolysis |
A | 0008237 | molecular_function | metallopeptidase activity |
A | 0008270 | molecular_function | zinc ion binding |
A | 0031012 | cellular_component | extracellular matrix |
B | 0004222 | molecular_function | metalloendopeptidase activity |
B | 0006508 | biological_process | proteolysis |
B | 0008237 | molecular_function | metallopeptidase activity |
B | 0008270 | molecular_function | zinc ion binding |
B | 0031012 | cellular_component | extracellular matrix |
C | 0004222 | molecular_function | metalloendopeptidase activity |
C | 0006508 | biological_process | proteolysis |
C | 0008237 | molecular_function | metallopeptidase activity |
C | 0008270 | molecular_function | zinc ion binding |
C | 0031012 | cellular_component | extracellular matrix |
D | 0004222 | molecular_function | metalloendopeptidase activity |
D | 0006508 | biological_process | proteolysis |
D | 0008237 | molecular_function | metallopeptidase activity |
D | 0008270 | molecular_function | zinc ion binding |
D | 0031012 | cellular_component | extracellular matrix |
E | 0004222 | molecular_function | metalloendopeptidase activity |
E | 0006508 | biological_process | proteolysis |
E | 0008237 | molecular_function | metallopeptidase activity |
E | 0008270 | molecular_function | zinc ion binding |
E | 0031012 | cellular_component | extracellular matrix |
Functional Information from PDB Data
site_id | AC1 |
Number of Residues | 4 |
Details | binding site for residue ZN A 301 |
Chain | Residue |
A | HIS222 |
A | GLU223 |
A | HIS226 |
A | HIS232 |
site_id | AC2 |
Number of Residues | 4 |
Details | binding site for residue ZN A 302 |
Chain | Residue |
A | HIS172 |
A | ASP174 |
A | HIS187 |
A | HIS200 |
site_id | AC3 |
Number of Residues | 6 |
Details | binding site for residue CA A 303 |
Chain | Residue |
A | GLY180 |
A | SER182 |
A | LEU184 |
A | ASP202 |
A | GLU205 |
A | ASP179 |
site_id | AC4 |
Number of Residues | 4 |
Details | binding site for residue CA A 304 |
Chain | Residue |
A | ASP162 |
A | ASN194 |
A | GLY196 |
A | ASP198 |
site_id | AC5 |
Number of Residues | 14 |
Details | binding site for residue 8O7 A 305 |
Chain | Residue |
A | LEU184 |
A | LEU185 |
A | ALA186 |
A | LEU218 |
A | HIS222 |
A | GLU223 |
A | LEU239 |
A | PHE241 |
A | PRO242 |
A | ILE243 |
A | TYR244 |
A | THR245 |
A | THR247 |
A | LYS249 |
site_id | AC6 |
Number of Residues | 3 |
Details | binding site for residue SO4 A 306 |
Chain | Residue |
A | LYS115 |
A | MET116 |
A | ASN117 |
site_id | AC7 |
Number of Residues | 3 |
Details | binding site for residue SO4 A 307 |
Chain | Residue |
A | TYR120 |
A | LYS139 |
A | ARG155 |
site_id | AC8 |
Number of Residues | 3 |
Details | binding site for residue ZN B 301 |
Chain | Residue |
B | HIS222 |
B | HIS226 |
B | HIS232 |
site_id | AC9 |
Number of Residues | 4 |
Details | binding site for residue ZN B 302 |
Chain | Residue |
B | HIS172 |
B | ASP174 |
B | HIS187 |
B | HIS200 |
site_id | AD1 |
Number of Residues | 6 |
Details | binding site for residue CA B 303 |
Chain | Residue |
B | ASP179 |
B | GLY180 |
B | SER182 |
B | LEU184 |
B | ASP202 |
B | GLU205 |
site_id | AD2 |
Number of Residues | 5 |
Details | binding site for residue CA B 304 |
Chain | Residue |
B | ALA161 |
B | ASP162 |
B | ASN194 |
B | GLY196 |
B | ASP198 |
site_id | AD3 |
Number of Residues | 16 |
Details | binding site for residue 8O7 B 305 |
Chain | Residue |
B | LEU184 |
B | LEU185 |
B | ALA186 |
B | LEU218 |
B | HIS222 |
B | GLU223 |
B | GLY237 |
B | ALA238 |
B | LEU239 |
B | PHE241 |
B | PRO242 |
B | ILE243 |
B | TYR244 |
B | THR245 |
B | THR247 |
B | PHE252 |
site_id | AD4 |
Number of Residues | 3 |
Details | binding site for residue SO4 B 306 |
Chain | Residue |
B | LYS115 |
B | MET116 |
B | ASN117 |
site_id | AD5 |
Number of Residues | 3 |
Details | binding site for residue SO4 B 307 |
Chain | Residue |
B | TYR120 |
B | LYS139 |
B | ARG155 |
site_id | AD6 |
Number of Residues | 3 |
Details | binding site for residue ZN C 301 |
Chain | Residue |
C | HIS222 |
C | HIS226 |
C | HIS232 |
site_id | AD7 |
Number of Residues | 4 |
Details | binding site for residue ZN C 302 |
Chain | Residue |
C | HIS172 |
C | ASP174 |
C | HIS187 |
C | HIS200 |
site_id | AD8 |
Number of Residues | 6 |
Details | binding site for residue CA C 303 |
Chain | Residue |
C | ASP179 |
C | GLY180 |
C | SER182 |
C | LEU184 |
C | ASP202 |
C | GLU205 |
site_id | AD9 |
Number of Residues | 4 |
Details | binding site for residue CA C 304 |
Chain | Residue |
C | ASP162 |
C | ASN194 |
C | GLY196 |
C | ASP198 |
site_id | AE1 |
Number of Residues | 16 |
Details | binding site for residue 8O7 C 305 |
Chain | Residue |
C | LEU218 |
C | VAL219 |
C | ALA238 |
C | LEU239 |
C | PHE241 |
C | PRO242 |
C | ILE243 |
C | TYR244 |
C | THR245 |
C | TYR246 |
C | PHE252 |
C | PRO255 |
C | GLY183 |
C | LEU184 |
C | LEU185 |
C | ALA186 |
site_id | AE2 |
Number of Residues | 4 |
Details | binding site for residue SO4 C 306 |
Chain | Residue |
C | THR130 |
C | HIS131 |
E | THR130 |
E | HIS131 |
site_id | AE3 |
Number of Residues | 3 |
Details | binding site for residue SO4 C 307 |
Chain | Residue |
C | GLU135 |
C | LYS139 |
C | ARG155 |
site_id | AE4 |
Number of Residues | 4 |
Details | binding site for residue ZN D 301 |
Chain | Residue |
D | HIS222 |
D | GLU223 |
D | HIS226 |
D | HIS232 |
site_id | AE5 |
Number of Residues | 4 |
Details | binding site for residue ZN D 302 |
Chain | Residue |
D | HIS172 |
D | ASP174 |
D | HIS187 |
D | HIS200 |
site_id | AE6 |
Number of Residues | 6 |
Details | binding site for residue CA D 303 |
Chain | Residue |
D | ASP179 |
D | GLY180 |
D | SER182 |
D | LEU184 |
D | ASP202 |
D | GLU205 |
site_id | AE7 |
Number of Residues | 4 |
Details | binding site for residue CA D 304 |
Chain | Residue |
D | ASP162 |
D | ASN194 |
D | GLY196 |
D | ASP198 |
site_id | AE8 |
Number of Residues | 16 |
Details | binding site for residue 8O7 D 305 |
Chain | Residue |
D | LEU184 |
D | LEU185 |
D | ALA186 |
D | LEU218 |
D | VAL219 |
D | HIS222 |
D | GLU223 |
D | GLY237 |
D | LEU239 |
D | PHE241 |
D | PRO242 |
D | ILE243 |
D | THR245 |
D | THR247 |
D | PHE252 |
D | PRO255 |
site_id | AE9 |
Number of Residues | 4 |
Details | binding site for residue SO4 D 306 |
Chain | Residue |
B | LYS234 |
D | LYS115 |
D | MET116 |
D | ASN117 |
site_id | AF1 |
Number of Residues | 4 |
Details | binding site for residue SO4 D 307 |
Chain | Residue |
A | THR130 |
A | HIS131 |
D | THR130 |
D | HIS131 |
site_id | AF2 |
Number of Residues | 2 |
Details | binding site for residue SO4 D 308 |
Chain | Residue |
D | THR130 |
D | SER132 |
site_id | AF3 |
Number of Residues | 3 |
Details | binding site for residue SO4 D 309 |
Chain | Residue |
D | TYR120 |
D | LYS139 |
D | ARG155 |
site_id | AF4 |
Number of Residues | 3 |
Details | binding site for residue SO4 D 310 |
Chain | Residue |
D | THR208 |
D | SER210 |
D | LYS212 |
site_id | AF5 |
Number of Residues | 4 |
Details | binding site for residue ZN E 301 |
Chain | Residue |
E | HIS222 |
E | GLU223 |
E | HIS226 |
E | HIS232 |
site_id | AF6 |
Number of Residues | 4 |
Details | binding site for residue ZN E 302 |
Chain | Residue |
E | HIS172 |
E | ASP174 |
E | HIS187 |
E | HIS200 |
site_id | AF7 |
Number of Residues | 6 |
Details | binding site for residue CA E 303 |
Chain | Residue |
E | ASP179 |
E | GLY180 |
E | SER182 |
E | LEU184 |
E | ASP202 |
E | GLU205 |
site_id | AF8 |
Number of Residues | 4 |
Details | binding site for residue CA E 304 |
Chain | Residue |
E | ASP162 |
E | ASN194 |
E | GLY196 |
E | ASP198 |
site_id | AF9 |
Number of Residues | 19 |
Details | binding site for residue 8O7 E 305 |
Chain | Residue |
B | SER264 |
B | PRO268 |
E | MET103 |
E | TYR104 |
E | LEU184 |
E | LEU185 |
E | ALA186 |
E | LEU218 |
E | HIS222 |
E | GLU223 |
E | GLY237 |
E | ALA238 |
E | PHE241 |
E | PRO242 |
E | ILE243 |
E | TYR244 |
E | THR245 |
E | THR247 |
E | PRO255 |
site_id | AG1 |
Number of Residues | 3 |
Details | binding site for residue SO4 E 306 |
Chain | Residue |
E | LYS115 |
E | MET116 |
E | ASN117 |
site_id | AG2 |
Number of Residues | 3 |
Details | binding site for residue SO4 E 307 |
Chain | Residue |
E | TYR120 |
E | LYS139 |
E | ARG155 |
site_id | AG3 |
Number of Residues | 3 |
Details | binding site for residue SO4 E 308 |
Chain | Residue |
E | THR208 |
E | SER209 |
E | SER210 |
Functional Information from PROSITE/UniProt
site_id | PS00142 |
Number of Residues | 10 |
Details | ZINC_PROTEASE Neutral zinc metallopeptidases, zinc-binding region signature. VAAHEFGHSL |
Chain | Residue | Details |
A | VAL219-LEU228 |
Functional Information from SwissProt/UniProt
site_id | SWS_FT_FI1 |
Number of Residues | 5 |
Details | ACT_SITE: ACT_SITE => ECO:0000305|PubMed:23913860 |
Chain | Residue | Details |
A | GLU223 | |
B | GLU223 | |
C | GLU223 | |
D | GLU223 | |
E | GLU223 |
site_id | SWS_FT_FI2 |
Number of Residues | 60 |
Details | BINDING: BINDING => ECO:0000269|PubMed:10926524, ECO:0000269|PubMed:10986126, ECO:0000269|PubMed:15734645, ECO:0000269|PubMed:15780611, ECO:0000269|PubMed:17196980, ECO:0000269|PubMed:17623656, ECO:0000269|PubMed:19422229, ECO:0000269|PubMed:20005097, ECO:0000269|PubMed:20726512, ECO:0000269|PubMed:22689580, ECO:0000269|PubMed:23810497, ECO:0000269|PubMed:23913860, ECO:0000269|PubMed:8969305 |
Chain | Residue | Details |
A | ASP128 | |
A | ASP202 | |
A | ASP203 | |
A | GLU205 | |
B | ASP128 | |
B | ASP162 | |
B | ASP179 | |
B | GLY180 | |
B | SER182 | |
B | LEU184 | |
B | ASN194 | |
A | ASP162 | |
B | GLY196 | |
B | ASP198 | |
B | ASP202 | |
B | ASP203 | |
B | GLU205 | |
C | ASP128 | |
C | ASP162 | |
C | ASP179 | |
C | GLY180 | |
C | SER182 | |
A | ASP179 | |
C | LEU184 | |
C | ASN194 | |
C | GLY196 | |
C | ASP198 | |
C | ASP202 | |
C | ASP203 | |
C | GLU205 | |
D | ASP128 | |
D | ASP162 | |
D | ASP179 | |
A | GLY180 | |
D | GLY180 | |
D | SER182 | |
D | LEU184 | |
D | ASN194 | |
D | GLY196 | |
D | ASP198 | |
D | ASP202 | |
D | ASP203 | |
D | GLU205 | |
E | ASP128 | |
A | SER182 | |
E | ASP162 | |
E | ASP179 | |
E | GLY180 | |
E | SER182 | |
E | LEU184 | |
E | ASN194 | |
E | GLY196 | |
E | ASP198 | |
E | ASP202 | |
E | ASP203 | |
A | LEU184 | |
E | GLU205 | |
A | ASN194 | |
A | GLY196 | |
A | ASP198 |
site_id | SWS_FT_FI3 |
Number of Residues | 40 |
Details | BINDING: BINDING => ECO:0000269|PubMed:10926524, ECO:0000269|PubMed:10986126, ECO:0000269|PubMed:15734645, ECO:0000269|PubMed:15780611, ECO:0000269|PubMed:17196980, ECO:0000269|PubMed:17623656, ECO:0000269|PubMed:19422229, ECO:0000269|PubMed:20005097, ECO:0000269|PubMed:20726512, ECO:0000269|PubMed:22689580, ECO:0000269|PubMed:23810497, ECO:0000269|PubMed:23913860 |
Chain | Residue | Details |
A | HIS172 | |
B | ASP174 | |
B | HIS187 | |
B | HIS200 | |
B | HIS222 | |
B | HIS226 | |
B | HIS232 | |
B | MET240 | |
C | HIS172 | |
C | ASP174 | |
C | HIS187 | |
A | ASP174 | |
C | HIS200 | |
C | HIS222 | |
C | HIS226 | |
C | HIS232 | |
C | MET240 | |
D | HIS172 | |
D | ASP174 | |
D | HIS187 | |
D | HIS200 | |
D | HIS222 | |
A | HIS187 | |
D | HIS226 | |
D | HIS232 | |
D | MET240 | |
E | HIS172 | |
E | ASP174 | |
E | HIS187 | |
E | HIS200 | |
E | HIS222 | |
E | HIS226 | |
E | HIS232 | |
A | HIS200 | |
E | MET240 | |
A | HIS222 | |
A | HIS226 | |
A | HIS232 | |
A | MET240 | |
B | HIS172 |
site_id | SWS_FT_FI4 |
Number of Residues | 5 |
Details | CARBOHYD: N-linked (GlcNAc...) asparagine => ECO:0000269|PubMed:8576151 |
Chain | Residue | Details |
A | ASN117 | |
B | ASN117 | |
C | ASN117 | |
D | ASN117 | |
E | ASN117 |
site_id | SWS_FT_FI5 |
Number of Residues | 5 |
Details | CARBOHYD: N-linked (GlcNAc...) asparagine => ECO:0000255 |
Chain | Residue | Details |
A | ASN152 | |
B | ASN152 | |
C | ASN152 | |
D | ASN152 | |
E | ASN152 |