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 | ASP203 | |
| A | GLU205 | |
| B | ASP128 | |
| B | ASP162 | |
| B | ASP179 | |
| B | GLY180 | |
| B | SER182 | |
| B | LEU184 | |
| B | ASN194 | |
| B | GLY196 | |
| B | ASP198 | |
| B | ASP202 | |
| B | ASP203 | |
| B | GLU205 | |
| C | ASP128 | |
| C | ASP162 | |
| C | ASP179 | |
| C | GLY180 | |
| C | SER182 | |
| C | LEU184 | |
| C | ASN194 | |
| C | GLY196 | |
| C | ASP198 | |
| C | ASP202 | |
| C | ASP203 | |
| C | GLU205 | |
| D | ASP128 | |
| D | ASP162 | |
| D | ASP179 | |
| D | GLY180 | |
| D | SER182 | |
| D | LEU184 | |
| D | ASN194 | |
| D | GLY196 | |
| D | ASP198 | |
| D | ASP202 | |
| D | ASP203 | |
| D | GLU205 | |
| E | ASP128 | |
| E | ASP162 | |
| E | ASP179 | |
| E | GLY180 | |
| E | SER182 | |
| E | LEU184 | |
| E | ASN194 | |
| E | GLY196 | |
| E | ASP198 | |
| E | ASP202 | |
| E | ASP203 | |
| E | GLU205 | |
| A | ASN194 | |
| A | GLY196 | |
| A | ASP128 | |
| A | ASP162 | |
| A | ASP179 | |
| A | GLY180 | |
| A | SER182 | |
| A | LEU184 | |
| A | ASP198 | |
| A | ASP202 |
| 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 |
| B | MET240 | |
| C | HIS172 | |
| C | ASP174 | |
| C | HIS187 | |
| C | HIS200 | |
| C | HIS222 | |
| C | HIS226 | |
| C | HIS232 | |
| C | MET240 | |
| D | HIS172 | |
| D | ASP174 | |
| D | HIS187 | |
| D | HIS200 | |
| D | HIS222 | |
| D | HIS226 | |
| D | HIS232 | |
| D | MET240 | |
| E | HIS172 | |
| E | ASP174 | |
| E | HIS187 | |
| E | HIS200 | |
| E | HIS222 | |
| E | HIS226 | |
| E | HIS232 | |
| E | MET240 | |
| A | HIS187 | |
| A | HIS200 | |
| A | HIS222 | |
| A | HIS226 | |
| A | HIS232 | |
| A | MET240 | |
| B | HIS172 | |
| B | ASP174 | |
| B | HIS187 | |
| B | HIS200 | |
| A | HIS172 | |
| A | ASP174 | |
| B | HIS222 | |
| B | HIS226 | |
| B | HIS232 |
| 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 |
