Binding Site Information of Target
| Target General Information | Top | ||||
|---|---|---|---|---|---|
| Target ID | T73476 | Target Info | |||
| Target Name | Antithrombin-III (ATIII) | ||||
| Synonyms | SERPINC1; ATIII; AT3 | ||||
| Target Type | Successful Target | ||||
| Gene Name | SERPINC1 | ||||
| Biochemical Class | Serpin protein | ||||
| UniProt ID | |||||
| Drug Binding Sites of Target | Top | |||||
|---|---|---|---|---|---|---|
| Ligand Name: 2-(Acetylamino)-2-Deoxy-a-D-Glucopyranose | Ligand Info | |||||
| Structure Description | Crystal structure at 2.6A of the ternary complex between antithrombin, a P14-P8 reactive loop peptide, and an exogenous tetrapeptide | PDB:1JVQ | ||||
| Method | X-ray diffraction | Resolution | 2.60 Å | Mutation | No | [1] |
| PDB Sequence |
VDICTAKPRD
14 IPMNPMCIYN45 RRVWELSKAN55 SRFATTFYQH65 LADSKNDNDN75 IFLSPLSIST 85 AFAMTKLGAC95 NDTLQQLMEV105 FKFDTISEKT115 SDQIHFFFAK125 LNCRLYRKAN 135 KSSKLVSANR145 LFGDKSLTFN155 ETYQDISELV165 YGAKLQPLDF175 KENAEQSRAA 185 INKWVSNKTE195 GRITDVIPSE205 AINELTVLVL215 VNTIYFKGLW225 KSKFSPENTR 235 KELFYKADGE245 SCSASMMYQE255 GKFRYRRVAE265 GTQVLELPFK275 GDDITMVLIL 285 PKPEKSLAKV295 EKELTPEVLQ305 EWLDELEEMM315 LVVHMPRFRI325 EDGFSLKEQL 335 QDMGLVDLFS345 PEKSKLPGIV355 AEGRDDLYVS365 DAFHKAFLEV375 NEEGSEAAAS 385 TAVVIAGRSL395 NPNRVTFKAN405 RPFLVFIREV415 PLNTIIFMGR425 VANPCV |
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| Click to View More Binding Site Information of This Target and Ligand Pair | ||||||
| Ligand Name: 2-acetamido-2-deoxy-beta-D-allopyranose | Ligand Info | |||||
| Structure Description | THE 2.6 A STRUCTURE OF ANTITHROMBIN INDICATES A CONFORMATIONAL CHANGE AT THE HEPARIN BINDING SITE | PDB:2ANT | ||||
| Method | X-ray diffraction | Resolution | 2.60 Å | Mutation | No | [2] |
| PDB Sequence |
ICTAKDIPMN
18 PMCIYRSATN45 RRVWELSKAN55 SRFATTFYQH65 LADSKNDNDN75 IFLSPLSIST 85 AFAMTKLGAC95 NDTLQQLMEV105 FKFDTISEKT115 SDQIHFFFAK125 LNCRLYRKAN 135 KSSKLVSANR145 LFGDKSLTFN155 ETYQDISELV165 YGAKLQPLDF175 KENAEQSRAA 185 INKWVSNKTE195 GRITDVIPSE205 AINELTVLVL215 VNTIYFKGLW225 KSKFSPENTR 235 KELFYKADGE245 SCSASMMYQE255 GKFRYRRVAE265 GTQVLELPFK275 GDDITMVLIL 285 PKPEKSLAKV295 EKELTPEVLQ305 EWLDELEEMM315 LVVHMPRFRI325 EDGFSLKEQL 335 QDMGLVDLFS345 PEKSKLPGIV355 AEGRDDLYVS365 DAFHKAFLEV375 NEEGSEAAAS 385 TAVVIAGRSL395 NRPFLVFIRE414 VPLNTIIFMG424 RVANPCVK
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| References | Top | ||||
|---|---|---|---|---|---|
| REF 1 | How small peptides block and reverse serpin polymerisation. J Mol Biol. 2004 Sep 17;342(3):931-41. | ||||
| REF 2 | The 2.6 A structure of antithrombin indicates a conformational change at the heparin binding site. J Mol Biol. 1997 Feb 28;266(3):601-9. | ||||
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