Target Binding Site Detail
| Target General Information | Top | ||||
|---|---|---|---|---|---|
| Target ID | T79400 | Target Info | |||
| Target Name | Kallikrein-4 (KLK4) | ||||
| Synonyms | Serine protease 17; Prostase; PSTS; PRSS17; Kallikreinlike protein 1; Kallikrein4; Kallikrein-like protein 1; KLKL1; KLK-L1; Enamel matrix serine proteinase 1; EMSP1 | ||||
| Target Type | Patented-recorded Target | ||||
| Gene Name | KLK4 | ||||
| Biochemical Class | Peptidase | ||||
| UniProt ID | |||||
| Ligand General Information | Top | ||||
|---|---|---|---|---|---|
| Ligand Name | P-Amino benzamidine | Ligand Info | |||
| Canonical SMILES | C1=CC(=CC=C1C(=[NH2+])N)N | ||||
| InChI | 1S/C7H9N3/c8-6-3-1-5(2-4-6)7(9)10/h1-4H,8H2,(H3,9,10)/p+1 | ||||
| InChIKey | WPANETAWYGDRLL-UHFFFAOYSA-O | ||||
| PubChem Compound ID | 3289295 | ||||
| Drug Binding Sites of Target | Top | |||||
|---|---|---|---|---|---|---|
| PDB ID: 2BDG Human Kallikrein 4 complex with nickel and p-aminobenzamidine | ||||||
| Method | X-ray diffraction | Resolution | 1.95 Å | Mutation | No | [1] |
| PDB Sequence |
IINGEDCSPH
25 SQPWQAALVM35 ENELFCSGVL46 VHPQWVLSAA56 HCFQNSYTIG66 LGLHSLEADQ 76 EPGSQMVEAS86 LSVRHPEYNR96 PLLANDLMLI106 KLDESVSESD116 TIRSISIASQ 127 CPTAGNSCLV138 SGWGLLANGR150 MPTVLQCVNV160 SVVSEEVCSK170 LYDPLYHPSM 180 FCAGGGQDQK188 DSCNGDSGGP198 LICNGYLQGL212 VSFGKAPCGQ221 VGVPGVYTNL 231 CKFTEWIEKT241 VQA
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| PDB ID: 2BDH Human Kallikrein 4 complex with zinc and p-aminobenzamidine | ||||||
| Method | X-ray diffraction | Resolution | 3.00 Å | Mutation | No | [1] |
| PDB Sequence |
IINGEDCSPH
25 SQPWQAALVM35 ENELFCSGVL46 VHPQWVLSAA56 HCFQNSYTIG66 LGLHSLEADQ 76 EPGSQMVEAS86 LSVRHPEYNR96 PLLANDLMLI106 KLDESVSESD116 TIRSISIASQ 127 CPTAGNSCLV138 SGWGLLANGR150 MPTVLQCVNV160 SVVSEEVCSK170 LYDPLYHPSM 180 FCAGGGQDQK188 DSCNGDSGGP198 LICNGYLQGL212 VSFGKAPCGQ221 VGVPGVYTNL 231 CKFTEWIEKT241 VQA
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| PDB ID: 2BDI Human Kallikrein 4 complex with cobalt and p-aminobenzamidine | ||||||
| Method | X-ray diffraction | Resolution | 3.00 Å | Mutation | No | [1] |
| PDB Sequence |
IINGEDCSPH
25 SQPWQAALVM35 ENELFCSGVL46 VHPQWVLSAA56 HCFQNSYTIG66 LGLHSLEADQ 76 EPGSQMVEAS86 LSVRHPEYNR96 PLLANDLMLI106 KLDESVSESD116 TIRSISIASQ 127 CPTAGNSCLV138 SGWGLLANGR150 MPTVLQCVNV160 SVVSEEVCSK170 LYDPLYHPSM 180 FCAGGGQDQK188 DSCNGDSGGP198 LICNGYLQGL212 VSFGKAPCGQ221 VGVPGVYTNL 231 CKFTEWIEKT241 VQA
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| References | Top | ||||
|---|---|---|---|---|---|
| REF 1 | Crystal structures of human tissue kallikrein 4: activity modulation by a specific zinc binding site. J Mol Biol. 2006 Oct 6;362(5):1094-107. | ||||
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