3LDX
Discovery and Clinical Evaluation of RWJ-671818, a Thrombin Inhibitor with an Oxyguanidine P1 Motif
Functional Information from GO Data
| Chain | GOid | namespace | contents |
| H | 0004252 | molecular_function | serine-type endopeptidase activity |
| H | 0005509 | molecular_function | calcium ion binding |
| H | 0006508 | biological_process | proteolysis |
| H | 0007596 | biological_process | blood coagulation |
| L | 0004252 | molecular_function | serine-type endopeptidase activity |
| L | 0005576 | cellular_component | extracellular region |
| L | 0006508 | biological_process | proteolysis |
| L | 0007596 | biological_process | blood coagulation |
Functional Information from PDB Data
| site_id | AC1 |
| Number of Residues | 12 |
| Details | BINDING SITE FOR RESIDUE NLI H 1 |
| Chain | Residue |
| H | HIS57 |
| H | GLU217 |
| H | GLY219 |
| H | HOH272 |
| H | GLU97 |
| H | ASP189 |
| H | ALA190 |
| H | CYS191 |
| H | SER195 |
| H | SER214 |
| H | TRP215 |
| H | GLY216 |
| site_id | AC2 |
| Number of Residues | 11 |
| Details | BINDING SITE FOR CHAIN I OF HIRUDIN VARIANT-1 |
| Chain | Residue |
| H | PHE34 |
| H | LYS36 |
| H | GLN38 |
| H | LEU40 |
| H | LEU65 |
| H | ARG73 |
| H | THR74 |
| H | ARG75 |
| H | TYR76 |
| H | MET84 |
| H | HOH275 |
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 |
| site_id | SWS_FT_FI4 |
| Number of Residues | 10 |
| Details | Region: {"description":"Interaction with fibrinogen-binding exosite of thrombin"} |
| Chain | Residue | Details |
| site_id | SWS_FT_FI5 |
| Number of Residues | 10 |
| Details | Compositional bias: {"description":"Acidic residues","evidences":[{"source":"SAM","id":"MobiDB-lite","evidenceCode":"ECO:0000256"}]} |
| Chain | Residue | Details |
| site_id | SWS_FT_FI6 |
| Number of Residues | 1 |
| Details | Modified residue: {"description":"Sulfotyrosine","evidences":[{"source":"PubMed","id":"17685615","evidenceCode":"ECO:0000269"},{"source":"PubMed","id":"8251938","evidenceCode":"ECO:0000269"}]} |
| Chain | Residue | Details |
