Target Binding Site Detail
| Target General Information | Top | ||||
|---|---|---|---|---|---|
| Target ID | T13616 | Target Info | |||
| Target Name | Integrin-linked protein kinase 1 (ILK) | ||||
| Synonyms | P59ILK; Integrin-linked protein kinase; Integrin-linked kinase; ILK2; ILK1; ILK-2; ILK-1; Beta-integrin-linked kinase; 59 kDa serine/threonine-protein kinase; 59 kDa serine/threonine protein kinase | ||||
| Target Type | Patented-recorded Target | ||||
| Gene Name | ILK | ||||
| Biochemical Class | Kinase | ||||
| UniProt ID | |||||
| Ligand General Information | Top | ||||
|---|---|---|---|---|---|
| Ligand Name | Adenosine triphosphate | Ligand Info | |||
| Canonical SMILES | C1=NC(=C2C(=N1)N(C=N2)C3C(C(C(O3)COP(=O)(O)OP(=O)(O)OP(=O)(O)O)O)O)N | ||||
| InChI | 1S/C10H16N5O13P3/c11-8-5-9(13-2-12-8)15(3-14-5)10-7(17)6(16)4(26-10)1-25-30(21,22)28-31(23,24)27-29(18,19)20/h2-4,6-7,10,16-17H,1H2,(H,21,22)(H,23,24)(H2,11,12,13)(H2,18,19,20)/t4-,6-,7-,10-/m1/s1 | ||||
| InChIKey | ZKHQWZAMYRWXGA-KQYNXXCUSA-N | ||||
| PubChem Compound ID | 5957 | ||||
| Drug Binding Sites of Target | Top | |||||
|---|---|---|---|---|---|---|
| PDB ID: 3REP Crystal structure of the ILK/alpha-parvin core complex (MnATP) | ||||||
| Method | X-ray diffraction | Resolution | 1.80 Å | Mutation | Yes | [1] |
| PDB Sequence |
HSGIDFKQLN
194 FLTKLNENHS204 GELWKGRWQG214 NDIVVKVLKV224 RDWSTRKSRD234 FNEECPRLRI 244 FSHPNVLPVL254 GACQSPPAPH264 PTLITHWMPY274 GSLYNVLHEG284 TNFVVDQSQA 294 VKFALDMARG304 MAFLHTLEPL314 IPRHALNSRS324 VMIDEDMTAR334 ISMADVKFSF 344 QSPGRMYAPA354 WVAPEALQKK364 PEDTNRRSAD374 MWSFAVLLWE384 LVTREVPFAD 394 LSNMEIGMKV404 ALEGLRPTIP414 PGISPHVSKL424 MKICMNEDPA434 KRPKFDMIVP 444 ILEKMQDK
|
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|
|
LEU199
4.554
ASN200
2.920
ASN202
2.985
HIS203
3.577
SER204
2.553
LEU207
2.993
VAL218
3.647
LYS220
2.683
LEU251
4.148
THR269
3.654
HIS270
2.894
|
|||||
| PDB ID: 3KMW Crystal structure of the ILK/alpha-parvin core complex (MgATP) | ||||||
| Method | X-ray diffraction | Resolution | 2.00 Å | Mutation | Yes | [2] |
| PDB Sequence |
HSGIDFKQLN
194 FLTKLNENHS204 GELWKGRWQG214 NDIVVKVLKV224 RDWSTRKSRD234 FNEECPRLRI 244 FSHPNVLPVL254 GACQSPPAPH264 PTLITHWMPY274 GSLYNVLHEG284 TNFVVDQSQA 294 VKFALDMARG304 MAFLHTLEPL314 IPRHALNSRS324 VMIDEDMTAR334 ISMADVKFSF 344 QSPGRMYAPA354 WVAPEALQKK364 PEDTNRRSAD374 MWSFAVLLWE384 LVTREVPFAD 394 LSNMEIGMKV404 ALEGLRPTIP414 PGISPHVSKL424 MKICMNEDPA434 KRPKFDMIVP 444 ILEKMQDK
|
|||||
|
|
LEU199
4.704
ASN200
2.807
ASN202
2.962
HIS203
3.655
SER204
2.574
LEU207
3.139
VAL218
3.550
LYS220
2.515
LEU251
4.142
THR269
3.795
HIS270
2.821
|
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| References | Top | ||||
|---|---|---|---|---|---|
| REF 1 | Crystal structure of the ILK/alpha-parvin core complex (MnATP) | ||||
| REF 2 | The pseudoactive site of ILK is essential for its binding to alpha-Parvin and localization to focal adhesions. Mol Cell. 2009 Dec 11;36(5):819-30. | ||||
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