Target Binding Site Detail
Target General Information | Top | ||||
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Target ID | T17758 | Target Info | |||
Target Name | Urokinase-type plasminogen activator (PLAU) | ||||
Synonyms | UPA; U-plasminogen activator | ||||
Target Type | Successful Target | ||||
Gene Name | PLAU | ||||
Biochemical Class | Peptidase | ||||
UniProt ID |
Ligand General Information | Top | ||||
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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 | |||||
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PDB ID: 4X1P The crystal structure of mupain-1-17 in complex with murinised human uPA at pH4.6 | ||||||
Method | X-ray diffraction | Resolution | 1.60 Å | Mutation | Yes | [1] |
PDB Sequence |
IIGGEFTTIE
25 NQPWFAAIYR35 RHRGGSVTYV41 CGGSLISPCW51 VISATHCFID60A YPKKEDYIVY 67 LGRSRLNSNT77 QGEMKFEVEN87 LILHKDYSAD97 TLAYHNDIAL105 LKIRSKEGRC 111 AQPSRTIQTI121 ALPSMYNDPQ131 FGTSCEITGF141 GKEQSTDYLY151 PEQLKMTVVK 161 LISHRECQQP170A HYYGSEVTTK179 MLCAADPQWK187 TDSCQGDSGG197 PLVCSLQGRM 207 TLTGIVSWGR217 GCALKDKPGV227 YTRVSHFLPW237 IRSHTKE
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PDB ID: 4X1N The crystal structure of mupain-1-16 in complex with murinised human uPA at pH7.4 | ||||||
Method | X-ray diffraction | Resolution | 1.80 Å | Mutation | Yes | [2] |
PDB Sequence |
IIGGEFTTIE
25 NQPWFAAIYR35 RHRGGSVTYV41 CGGSLISPCW51 VISATHCFID60A YPKKEDYIVY 67 LGRSRLNSNT77 QGEMKFEVEN87 LILHKDYSAD97 TLAYHNDIAL105 LKIRSKEGRC 111 AQPSRTIQTI121 ALPSMYNDPQ131 FGTSCEITGF141 GKEQSTDYLY151 PEQLKMTVVK 161 LISHRECQQP170A HYYGSEVTTK179 MLCAADPQWK187 TDSCQGDSGG197 PLVCSLQGRM 207 TLTGIVSWGR217 GCALKDKPGV227 YTRVSHFLPW237 IRSHTKE
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PDB ID: 4X1S The crystal structure of mupain-1-16-D9A in complex with murinised human uPA at pH7.4 | ||||||
Method | X-ray diffraction | Resolution | 1.90 Å | Mutation | Yes | [2] |
PDB Sequence |
IIGGEFTTIE
25 NQPWFAAIYR35 RHRGGSVTYV41 CGGSLISPCW51 VISATHCFID60A YPKKEDYIVY 67 LGRSRLNSNT77 QGEMKFEVEN87 LILHKDYSAD97 TLAYHNDIAL105 LKIRSKEGRC 111 AQPSRTIQTI121 ALPSMYNDPQ131 FGTSCEITGF141 GKEQSTDYLY151 PEQLKMTVVK 161 LISHRECQQP170A HYYGSEVTTK179 MLCAADPQWK187 TDSCQGDSGG197 PLVCSLQGRM 207 TLTGIVSWGR217 GCALKDKPGV227 YTRVSHFLPW237 IRSHTK
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PDB ID: 4ZHM The crystal structure of mupain-1--16-IG in complex with murinised human uPA at pH7.4 | ||||||
Method | X-ray diffraction | Resolution | 1.90 Å | Mutation | Yes | [3] |
PDB Sequence |
IIGGEFTTIE
25 NQPWFAAIYR35 RHRGGSVTYV41 CGGSLISPCW51 VISATHCFID60A YPKKEDYIVY 67 LGRSRLNSNT77 QGEMKFEVEN87 LILHKDYSAD97 TLAYHNDIAL105 LKIRSKEGRC 111 AQPSRTIQTI121 ALPSMYNDPQ131 FGTSCEITGF141 GKEQSTDYLY151 PEQLKMTVVK 161 LISHRECQQP170A HYYGSEVTTK179 MLCAADPQWK187 TDSCQGDSGG197 PLVCSLQGRM 207 TLTGIVSWGR217 GCALKDKPGV227 YTRVSHFLPW237 IRSHTKE
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Click to Show 3D Structure of This Binding Site
set background white;style ions nothing; color 8e8e8e;style chemicals nothing; select .MRZ or .MRZ2 or .MRZ3 or :3MRZ;style chemicals stick;color identity;select .U:189 or .U:190 or .U:191 or .U:192 or .U:213 or .U:214 or .U:215 or .U:216 or .U:217 or .U:219 or .U:220 or .U:221 or .U:225 or .U:226 or .U:227 or .U:228; color #f3c393; zoom selection;set surface opacity 0.5;set surface Van der Waals surface;set mode all
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PDB ID: 4X0W The crystal structure of mupain-1-17 in complex with murinised human uPA | ||||||
Method | X-ray diffraction | Resolution | 2.10 Å | Mutation | Yes | [1] |
PDB Sequence |
IIGGEFTTIE
25 NQPWFAAIYR35 RHRGGSVTYV41 CGGSLISPCW51 VISATHCFID60A YPKKEDYIVY 67 LGRSRLNSNT77 QGEMKFEVEN87 LILHKDYSAD97 TLAYHNDIAL105 LKIRSKEGRC 111 AQPSRTIQTI121 ALPSMYNDPQ131 FGTSCEITGF141 GKEQSTDYLY151 PEQLKMTVVK 161 LISHRECQQP170A HYYGSEVTTK179 MLCAADPQWK187 TDSCQGDSGG197 PLVCSLQGRM 207 TLTGIVSWGR217 GCALKDKPGV227 YTRVSHFLPW237 IRSHTKE
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Click to Show 3D Structure of This Binding Site
set background white;style ions nothing; color 8e8e8e;style chemicals nothing; select .MRZ or .MRZ2 or .MRZ3 or :3MRZ;style chemicals stick;color identity;select .U:189 or .U:190 or .U:191 or .U:192 or .U:195 or .U:213 or .U:214 or .U:215 or .U:216 or .U:217 or .U:219 or .U:220 or .U:221 or .U:225 or .U:226 or .U:227 or .U:228; color #00ffc7; zoom selection;set surface opacity 0.5;set surface Van der Waals surface;set mode all
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References | Top | ||||
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REF 1 | Distinctive binding modes and inhibitory mechanisms of two peptidic inhibitors of urokinase-type plasminogen activator with isomeric P1 residues. Int J Biochem Cell Biol. 2015 May;62:88-92. | ||||
REF 2 | A cyclic peptidic serine protease inhibitor: increasing affinity by increasing peptide flexibility. PLoS One. 2014 Dec 29;9(12):e115872. | ||||
REF 3 | Selection of High-Affinity Peptidic Serine Protease Inhibitors with Increased Binding Entropy from a Back-Flip Library of Peptide-Protease Fusions. J Mol Biol. 2015 Sep 25;427(19):3110-22. |
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