Target Binding Site Detail
| Target General Information | Top | ||||
|---|---|---|---|---|---|
| Target ID | T46040 | Target Info | |||
| Target Name | Coagulation factor XI (F11) | ||||
| Synonyms | Plasma thromboplastin antecedent; PTA; FXI | ||||
| Target Type | Clinical trial Target | ||||
| Gene Name | F11 | ||||
| Biochemical Class | Peptidase | ||||
| UniProt ID | |||||
| Ligand General Information | Top | ||||
|---|---|---|---|---|---|
| Ligand Name | Glutathione | Ligand Info | |||
| Canonical SMILES | C(CC(=O)NC(CS)C(=O)NCC(=O)O)C(C(=O)O)N | ||||
| InChI | 1S/C10H17N3O6S/c11-5(10(18)19)1-2-7(14)13-6(4-20)9(17)12-3-8(15)16/h5-6,20H,1-4,11H2,(H,12,17)(H,13,14)(H,15,16)(H,18,19)/t5-,6-/m0/s1 | ||||
| InChIKey | RWSXRVCMGQZWBV-WDSKDSINSA-N | ||||
| PubChem Compound ID | 124886 | ||||
| Drug Binding Sites of Target | Top | |||||
|---|---|---|---|---|---|---|
| PDB ID: 1ZHM Crystal Structure of the Catalytic Domain of the Coagulation Factor XIa in Complex with Benzamidine (S434A-T475A-K437 Mutant) | ||||||
| Method | X-ray diffraction | Resolution | 1.96 Å | Mutation | Yes | [1] |
| PDB Sequence |
IVGGTASVRG
25 EWPWQVTLHT35 TSPTQRHLCG41 GSIIGNQWIL53 TAAHCFYGVE60 SPKILRVYSG 70 ILNQAEIAED80 TSFFGVQEII89 IHDQYKMAES99 GYDIALLKLE109 TTVNYADSQR 119 PICLPSKGDR130 NVIYTDCWVT139 GWGYRKLRDK149 IQNTLQKAKI160 PLVTNEECQK 170 RYRGHKITHK179 MICAGYREGG188 KDACKGDSGG197 PLSCKHNEVW203 HLVGITSWGE 217 GCAQRERPGV227 YTNVVEYVDW237 ILEKTQA
|
|||||
|
|
||||||
| PDB ID: 1ZHP Crystal Structure of the Catalytic Domain of Coagulation Factor XI in Complex with Benzamidine (S434A-T475A-K505 Mutant) | ||||||
| Method | X-ray diffraction | Resolution | 2.70 Å | Mutation | Yes | [1] |
| PDB Sequence |
IVGGTASVRG
25 EWPWQVTLHT35 TSPTQRHLCG41 GSIIGNQWIL53 TAAHCFYGVE60 SPKILRVYSG 70 ILNQAEIKED80 TSFFGVQEII89 IHDQYKMAES99 GYDIALLKLE109 TTVNYADSQR 119 PICLPSKGDR130 NVIYTDCWVT139 GWGYRALRDK149 IQNTLQKAKI160 PLVTNEECQK 170 RYRGHKITHK179 MICAGYREGG188 KDACKGDSGG197 PLSCKHNEVW203 HLVGITSWGE 217 GCAQRERPGV227 YTNVVEYVDW237 ILEKTQA
|
|||||
|
|
||||||
| References | Top | ||||
|---|---|---|---|---|---|
| REF 1 | Mutation of surface residues to promote crystallization of activated factor XI as a complex with benzamidine: an essential step for the iterative structure-based design of factor XI inhibitors. Acta Crystallogr D Biol Crystallogr. 2005 Oct;61(Pt 10):1418-25. | ||||
If You Find Any Error in Data or Bug in Web Service, Please Kindly Report It to Dr. Zhou and Dr. Zhang.