3B23
Crystal structure of thrombin-variegin complex: Insights of a novel mechanism of inhibition and design of tunable thrombin inhibitors
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 |
| C | 0004867 | molecular_function | serine-type endopeptidase inhibitor activity |
| C | 0005576 | cellular_component | extracellular region |
| C | 0030414 | molecular_function | peptidase inhibitor activity |
| C | 0140678 | molecular_function | molecular function inhibitor activity |
Functional Information from PDB Data
| site_id | AC1 |
| Number of Residues | 31 |
| Details | BINDING SITE FOR CHAIN C OF VARIEGIN |
| Chain | Residue |
| B | PHE34 |
| B | ARG67 |
| B | ARG73 |
| B | THR74 |
| B | ARG75 |
| B | TYR76 |
| B | ARG77 |
| B | ASN143 |
| B | THR147 |
| B | TRP148 |
| B | VAL149 |
| B | GLN38 |
| B | GLN151 |
| B | ARG173 |
| B | ILE174 |
| B | GLU192 |
| B | GLU192 |
| B | SER195 |
| B | HOH266 |
| C | HOH33 |
| C | HOH34 |
| C | HOH49 |
| B | GLU39 |
| C | HOH50 |
| C | HOH278 |
| B | LEU40 |
| B | LEU41 |
| B | TYR60 |
| B | TRP60 |
| B | LYS60 |
| B | LEU65 |
Functional Information from PROSITE/UniProt
Functional Information from SwissProt/UniProt
| site_id | SWS_FT_FI1 |
| Number of Residues | 254 |
| Details | Domain: {"description":"Peptidase S1","evidences":[{"source":"PROSITE-ProRule","id":"PRU00274","evidenceCode":"ECO:0000255"}]} |
| Chain | Residue | Details |
| site_id | SWS_FT_FI2 |
| 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_FI3 |
| Number of Residues | 3 |
| Details | Active site: {"description":"Charge relay system"} |
| Chain | Residue | Details |
| site_id | SWS_FT_FI4 |
| 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 |
| site_id | SWS_FT_FI5 |
| Number of Residues | 1 |
| Details | Glycosylation: {"description":"O-linked (Hex) threonine","evidences":[{"source":"PubMed","id":"17684009","evidenceCode":"ECO:0000269"}]} |
| Chain | Residue | Details |
