1CA8
Thrombin inhibitors with rigid tripeptidyl aldehydes
Functional Information from GO Data
| Chain | GOid | namespace | contents |
| A | 0004252 | molecular_function | serine-type endopeptidase activity |
| A | 0005576 | cellular_component | extracellular region |
| A | 0006508 | biological_process | proteolysis |
| A | 0007596 | biological_process | blood coagulation |
| B | 0004252 | molecular_function | serine-type endopeptidase activity |
| B | 0005509 | molecular_function | calcium ion binding |
| B | 0006508 | biological_process | proteolysis |
| B | 0007596 | biological_process | blood coagulation |
Functional Information from PDB Data
| site_id | AC1 |
| Number of Residues | 6 |
| Details | BINDING SITE FOR RESIDUE NA B 1 |
| Chain | Residue |
| B | ARG221 |
| B | LYS224 |
| B | HOH428 |
| B | HOH473 |
| B | HOH501 |
| B | HOH518 |
| site_id | AC2 |
| Number of Residues | 6 |
| Details | BINDING SITE FOR RESIDUE NA B 2 |
| Chain | Residue |
| B | LYS169 |
| B | THR172 |
| B | PHE204 |
| B | HOH446 |
| B | HOH595 |
| B | HOH596 |
| site_id | AC3 |
| Number of Residues | 15 |
| Details | BINDING SITE FOR RESIDUE 0KV B 248 |
| Chain | Residue |
| B | HIS57 |
| B | TYR60 |
| B | GLU97 |
| B | ILE174 |
| B | ASP189 |
| B | CYS191 |
| B | SER195 |
| B | SER214 |
| B | TRP215 |
| B | GLY216 |
| B | GLU217 |
| B | GLY219 |
| B | GLY226 |
| B | HOH407 |
| B | HOH459 |
| site_id | AC4 |
| Number of Residues | 14 |
| Details | BINDING SITE FOR CHAIN C OF HIRUGEN |
| Chain | Residue |
| B | PHE34 |
| B | ARG67 |
| B | ARG73 |
| B | THR74 |
| B | ARG75 |
| B | ARG75 |
| B | TYR76 |
| B | LYS81 |
| B | ILE82 |
| B | HOH450 |
| B | HOH588 |
| C | HOH457 |
| C | HOH537 |
| C | HOH565 |
| site_id | CAT |
| Number of Residues | 3 |
| Details | ACTIVE SITE |
| Chain | Residue |
| B | HIS57 |
| B | ASP102 |
| B | SER195 |
Functional Information from PROSITE/UniProt
Functional Information from SwissProt/UniProt
| site_id | SWS_FT_FI1 |
| Number of Residues | 22 |
| Details | Region: {"description":"High affinity receptor-binding region which is also known as the TP508 peptide"} |
| Chain | Residue | Details |
| site_id | SWS_FT_FI2 |
| Number of Residues | 3 |
| Details | Active site: {"description":"Charge relay system"} |
| Chain | Residue | Details |
| site_id | SWS_FT_FI3 |
| Number of Residues | 1 |
| Details | Glycosylation: {"description":"N-linked (GlcNAc...) (complex) asparagine","evidences":[{"source":"PubMed","id":"16335952","evidenceCode":"ECO:0000269"},{"source":"PubMed","id":"19139490","evidenceCode":"ECO:0000269"},{"source":"PubMed","id":"19159218","evidenceCode":"ECO:0000269"},{"source":"PubMed","id":"19838169","evidenceCode":"ECO:0000269"},{"source":"PubMed","id":"873923","evidenceCode":"ECO:0000269"}]} |
| Chain | Residue | Details |
Catalytic Information from CSA
| site_id | CSA1 |
| Number of Residues | 2 |
| Details | Annotated By Reference To The Literature 1a0j |
| Chain | Residue | Details |
| B | ASP102 | |
| B | HIS57 |
| site_id | CSA2 |
| Number of Residues | 2 |
| Details | Annotated By Reference To The Literature 1a0j |
| Chain | Residue | Details |
| B | SER195 | |
| B | GLY196 |
| site_id | CSA3 |
| Number of Residues | 2 |
| Details | Annotated By Reference To The Literature 1a0j |
| Chain | Residue | Details |
| B | SER195 | |
| B | GLY193 |
| site_id | CSA4 |
| Number of Residues | 4 |
| Details | Annotated By Reference To The Literature 1a0j |
| Chain | Residue | Details |
| B | ASP102 | |
| B | SER195 | |
| B | GLY193 | |
| B | HIS57 |
| site_id | CSA5 |
| Number of Residues | 3 |
| Details | Annotated By Reference To The Literature 1a0j |
| Chain | Residue | Details |
| B | ASP102 | |
| B | SER195 | |
| B | HIS57 |
| site_id | CSA6 |
| Number of Residues | 4 |
| Details | Annotated By Reference To The Literature 1a0j |
| Chain | Residue | Details |
| B | ASP102 | |
| B | SER195 | |
| B | HIS57 | |
| B | GLY196 |
