Target Binding Site Detail
| Target General Information | Top | ||||
|---|---|---|---|---|---|
| Target ID | T82739 | Target Info | |||
| Target Name | Plasma kallikrein (KLKB1) | ||||
| Synonyms | Plasma prekallikrein; Plasma kallikrein light chain; Plasma kallikrein heavy chain; PKK; Kininogenin; KLK3; Fletcher factor | ||||
| Target Type | Successful Target | ||||
| Gene Name | KLKB1 | ||||
| Biochemical Class | Peptidase | ||||
| UniProt ID | |||||
| Ligand General Information | Top | ||||
|---|---|---|---|---|---|
| Ligand Name | Piperidine-1-carboxamidine | Ligand Info | |||
| Canonical SMILES | C1CCN(CC1)C(=N)N | ||||
| InChI | 1S/C6H13N3/c7-6(8)9-4-2-1-3-5-9/h1-5H2,(H3,7,8) | ||||
| InChIKey | QUUYRYYUKNNNNS-UHFFFAOYSA-N | ||||
| PubChem Compound ID | 205051 | ||||
| Drug Binding Sites of Target | Top | |||||
|---|---|---|---|---|---|---|
| PDB ID: 5F8Z The crystal structure of human Plasma Kallikrein in complex with its peptide inhibitor pkalin-1 | ||||||
| Method | X-ray diffraction | Resolution | 1.50 Å | Mutation | Yes | [1] |
| PDB Sequence |
IVGGTNSSWG
25 EWPWQVSLQV35 KLTAQRHLCG43 GSLIGHQWVL53 TAAHCFDGLP60C LQDVWRIYSG 69 ILNLSDITKD79 TPFSQIKEII89 IHQNYKVSEG99 NHDIALIKLQ109 APLNYTEFQK 119 PISLPSKGDT129 STIYTNCWVT139 GWGFSKEKGE150 IQNILQKVNI160 PLVTNEECQK 170 RYQDYKITQR179 MVCAGYKEGG186B KDACKGDSGG197 PLVCKHNGMW208C RLVGITSWGE 217 GCARREQPGV227 YTKVAEYMDW237 ILEKTQSSD
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| PDB ID: 5F8X The crystal structure of human plasma kallikrein in complex with its peptide inhibitor pkalin-3 | ||||||
| Method | X-ray diffraction | Resolution | 1.55 Å | Mutation | Yes | [2] |
| PDB Sequence |
IVGGTNSSWG
25 EWPWQVSLQV35 KLTAQRHLCG43 GSLIGHQWVL53 TAAHCFDGLP60C LQDVWRIYSG 69 ILNLSDITKD79 TPFSQIKEII89 IHQNYKVSEG99 NHDIALIKLQ109 APLNYTEFQK 119 PISLPSKGDT129 STIYTNCWVT139 GWGFSKEKGE150 IQNILQKVNI160 PLVTNEECQK 170 RYQDYKITQR179 MVCAGYKEGG186B KDACKGDSGG197 PLVCKHNGMW208C RLVGITSWGE 217 GCARREQPGV227 YTKVAEYMDW237 ILEKTQSSD
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| PDB ID: 5F8T The crystal structure of human Plasma Kallikrein in complex with its peptide inhibitor pkalin-2 | ||||||
| Method | X-ray diffraction | Resolution | 1.75 Å | Mutation | Yes | [3] |
| PDB Sequence |
IVGGTNSSWG
25 EWPWQVSLQV35 KLTAQRHLCG43 GSLIGHQWVL53 TAAHCFDGLP60C LQDVWRIYSG 69 ILNLSDITKD79 TPFSQIKEII89 IHQNYKVSEG99 NHDIALIKLQ109 APLNYTEFQK 119 PISLPSKGDT129 STIYTNCWVT139 GWGFSKEKGE150 IQNILQKVNI160 PLVTNEECQK 170 RYQDYKITQR179 MVCAGYKEGG186B KDACKGDSGG197 PLVCKHNGMW208C RLVGITSWGE 217 GCARREQPGV227 YTKVAEYMDW237 ILEKTQSSD
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| References | Top | ||||
|---|---|---|---|---|---|
| REF 1 | The crystal structure of human Plasma Kallikrein in complex with its peptide inhibitor pkalin-1 | ||||
| REF 2 | The Crystal Structure Of Human Plasma Kallikrein In Complex With Its Peptide Inhibitor Pkalin-3 | ||||
| REF 3 | The crystal structure of human Plasma Kallikrein in complex with its peptide inhibitor pkalin-2 | ||||
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