5OM6
Crystal structure of Alpha1-antichymotrypsin variant DBS-I-allo2: a MMP9-cleavable drug-binding serpin for doxycycline
Functional Information from GO Data
| Chain | GOid | namespace | contents |
| A | 0003677 | molecular_function | DNA binding |
| A | 0004867 | molecular_function | serine-type endopeptidase inhibitor activity |
| A | 0005515 | molecular_function | protein binding |
| A | 0005576 | cellular_component | extracellular region |
| A | 0005615 | cellular_component | extracellular space |
| A | 0005634 | cellular_component | nucleus |
| A | 0006953 | biological_process | acute-phase response |
| A | 0006954 | biological_process | inflammatory response |
| A | 0019216 | biological_process | regulation of lipid metabolic process |
| A | 0030277 | biological_process | maintenance of gastrointestinal epithelium |
| A | 0031093 | cellular_component | platelet alpha granule lumen |
| A | 0034774 | cellular_component | secretory granule lumen |
| A | 0035578 | cellular_component | azurophil granule lumen |
| A | 0062023 | cellular_component | collagen-containing extracellular matrix |
| A | 0070062 | cellular_component | extracellular exosome |
| A | 0072562 | cellular_component | blood microparticle |
| C | 0003677 | molecular_function | DNA binding |
| C | 0004867 | molecular_function | serine-type endopeptidase inhibitor activity |
| C | 0005515 | molecular_function | protein binding |
| C | 0005576 | cellular_component | extracellular region |
| C | 0005615 | cellular_component | extracellular space |
| C | 0005634 | cellular_component | nucleus |
| C | 0006953 | biological_process | acute-phase response |
| C | 0006954 | biological_process | inflammatory response |
| C | 0019216 | biological_process | regulation of lipid metabolic process |
| C | 0030277 | biological_process | maintenance of gastrointestinal epithelium |
| C | 0031093 | cellular_component | platelet alpha granule lumen |
| C | 0034774 | cellular_component | secretory granule lumen |
| C | 0035578 | cellular_component | azurophil granule lumen |
| C | 0062023 | cellular_component | collagen-containing extracellular matrix |
| C | 0070062 | cellular_component | extracellular exosome |
| C | 0072562 | cellular_component | blood microparticle |
Functional Information from PDB Data
| site_id | AC1 |
| Number of Residues | 12 |
| Details | binding site for residue CIT A 401 |
| Chain | Residue |
| A | HIS225 |
| C | ARG232 |
| C | ASP257 |
| D | ARG374 |
| A | GLU284 |
| A | HOH526 |
| A | HOH527 |
| A | HOH538 |
| A | HOH558 |
| A | HOH566 |
| B | THR366 |
| B | ARG367 |
| site_id | AC2 |
| Number of Residues | 4 |
| Details | binding site for residue EDO A 402 |
| Chain | Residue |
| A | ASN30 |
| A | SER95 |
| A | PHE96 |
| A | HOH556 |
| site_id | AC3 |
| Number of Residues | 14 |
| Details | binding site for residue CIT C 401 |
| Chain | Residue |
| C | LEU210 |
| C | SER211 |
| C | ASP257 |
| C | GLN258 |
| C | ASP259 |
| C | LYS260 |
| C | MET261 |
| C | GLU262 |
| C | HOH513 |
| C | HOH544 |
| C | HOH560 |
| C | HOH592 |
| D | ARG374 |
| D | PRO375 |
| site_id | AC4 |
| Number of Residues | 7 |
| Details | binding site for residue EDO C 402 |
| Chain | Residue |
| C | ASN116 |
| C | ALA117 |
| C | GLY139 |
| C | SER140 |
| C | GLU141 |
| C | PHE143 |
| C | HOH505 |
| site_id | AC5 |
| Number of Residues | 5 |
| Details | binding site for residue CL C 403 |
| Chain | Residue |
| C | ARG349 |
| D | MET378 |
| D | PHE390 |
| D | MET391 |
| D | SER392 |
Functional Information from PROSITE/UniProt
| site_id | PS00284 |
| Number of Residues | 11 |
| Details | SERPIN Serpins signature. VRFNRPFLMiI |
| Chain | Residue | Details |
| B | VAL370-ILE380 |
Functional Information from SwissProt/UniProt
| site_id | SWS_FT_FI1 |
| Number of Residues | 4 |
| Details | DNA_BIND: |
| Chain | Residue | Details |
| A | LYS212-LYS214 | |
| C | LYS212-LYS214 |
| site_id | SWS_FT_FI2 |
| Number of Residues | 2 |
| Details | SITE: Reactive bond |
| Chain | Residue | Details |
| A | GLN360 | |
| C | GLN360 |
| site_id | SWS_FT_FI3 |
| Number of Residues | 4 |
| Details | CARBOHYD: N-linked (GlcNAc...) asparagine => ECO:0000269|PubMed:16335952 |
| Chain | Residue | Details |
| A | ASN10 | |
| A | ASN163 | |
| C | ASN10 | |
| C | ASN163 |
| site_id | SWS_FT_FI4 |
| Number of Residues | 2 |
| Details | CARBOHYD: N-linked (GlcNAc...) asparagine => ECO:0000269|PubMed:12754519, ECO:0000269|PubMed:14760718, ECO:0000269|PubMed:16335952, ECO:0000269|PubMed:19159218 |
| Chain | Residue | Details |
| A | ASN70 | |
| C | ASN70 |
| site_id | SWS_FT_FI5 |
| Number of Residues | 2 |
| Details | CARBOHYD: N-linked (GlcNAc...) asparagine => ECO:0000269|PubMed:12754519, ECO:0000269|PubMed:16335952, ECO:0000269|PubMed:19159218 |
| Chain | Residue | Details |
| A | ASN83 | |
| C | ASN83 |
| site_id | SWS_FT_FI6 |
| Number of Residues | 4 |
| Details | CARBOHYD: N-linked (GlcNAc...) asparagine => ECO:0000269|PubMed:16335952, ECO:0000269|PubMed:19159218 |
| Chain | Residue | Details |
| A | ASN104 | |
| A | ASN248 | |
| C | ASN104 | |
| C | ASN248 |
