Binding Site Information of Target
| Target General Information | Top | ||||
|---|---|---|---|---|---|
| Target ID | T90987 | Target Info | |||
| Target Name | ADAM metallopeptidase with thrombospondin 1 (ADAMTS1) | ||||
| Synonyms | METH1; METH-1; KIAA1346; ADAMTS-1; ADAM-TS1; ADAM-TS 1 | ||||
| Target Type | Literature-reported Target | ||||
| Gene Name | ADAMTS1 | ||||
| Biochemical Class | Peptidase | ||||
| UniProt ID | |||||
| Drug Binding Sites of Target | Top | |||||
|---|---|---|---|---|---|---|
| Ligand Name: Marimastat | Ligand Info | |||||
| Structure Description | Crystal Structure of Human ADAMTS-1 catalytic Domain and Cysteine- Rich Domain (complex-form) | PDB:2JIH | ||||
| Method | X-ray diffraction | Resolution | 2.10 Å | Mutation | No | [1] |
| PDB Sequence |
SHRYVETMLV
265 ADQSMAEFHG275 SGLKHYLLTL285 FSVAARLYKH295 PSIRNSVSLV305 VVKILVIHDE 315 QKGPEVTSNA325 ALTLRNFCNW335 QKQHNPPSDR345 DAEHYDTAIL355 FTRQDLCGSQ 365 TCDTLGMADV375 GTVCDPSRSC385 SVIEDDGLQA395 AFTTAHELGH405 VFNMPHDDAK 415 QCASLNDSHM429 MASMLSNLDH439 SQPWSPCSAY449 MITSFLDNGH459 GECLMDKPQN 469 PIQLPGDLPG479 TSYDANRQCQ489 FTFGEDSKHC499 PTCSTLWCTG513 VLVCQTKHFP 527 WADGTSCGEG537 KWCINGKCVN547 KLVP
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| Ligand Name: N-[(2s,4s)-1-({4-[(2,4-Dichlorobenzyl)oxy]piperidin-1-Yl}sulfonyl)-4-(5-Fluoropyrimidin-2-Yl)-2-Methylpentan-2-Yl]-N-Hydroxyformamide | Ligand Info | |||||
| Structure Description | Adamts1 in complex with a novel N-hydroxyformamide inhibitors | PDB:3Q2G | ||||
| Method | X-ray diffraction | Resolution | 2.30 Å | Mutation | No | [2] |
| PDB Sequence |
SHRYVETMLV
13 ADQSMAEFHG23 SGLKHYLLTL33 FSVAARLYKH43 PSIRNSVSLV53 VVKILVIHDE 63 QKGPEVTSNA73 ALTLRNFCNW83 QKQHNPPSDR93 DAEHYDTAIL103 FTRQDLCGSQ 113 TCDTLGMADV123 GTVCDPSRSC133 SVIEDDGLQA143 AFTTAHELGH153 VFNMPHDDAK 163 QCASLNSHMM178 ASMLSNLDHS188 QPWSPCSAYM198 ITSFLDNGHG208 ECLMDKPQNP 218 IQLPGDLPGT228 SYDANRQCQF238 TFGEDSKHCP248 TCSTLWCTGL267 VCQTKHFPWA 277 DGTSCGEGKW287 CINGKCVNKL297 VP
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ASP116
4.234
THR117
3.650
LEU118
3.090
GLY119
3.272
MET120
3.881
ALA121
3.678
VAL123
3.271
GLN142
4.020
PHE145
3.460
THR146
3.245
HIS149
3.490
GLU150
2.914
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| Ligand Name: N-[(2s,4s)-1-({4-[2-(3,5-Dimethyl-1,2-Oxazol-4-Yl)ethyl]piperidin-1-Yl}sulfonyl)-4-(5-Fluoropyrimidin-2-Yl)-2-Methylpentan-2-Yl]-N-Hydroxyformamide | Ligand Info | |||||
| Structure Description | Adamts1 in complex with N-hydroxyformamide inhibitors of ADAM-TS4 | PDB:3Q2H | ||||
| Method | X-ray diffraction | Resolution | 2.33 Å | Mutation | No | [2] |
| PDB Sequence |
SHRYVETMLV
13 ADQSMAEFHG23 SGLKHYLLTL33 FSVAARLYKH43 PSIRNSVSLV53 VVKILVIHDE 63 QKGPEVTSNA73 ALTLRNFCNW83 QKQHNPPSDR93 DAEHYDTAIL103 FTRQDLCGSQ 113 TCDTLGMADV123 GTVCDPSRSC133 SVIEDDGLQA143 AFTTAHELGH153 VFNMPHDDAK 163 QCASLNDSHM177 MASMLSNLDH187 SQPWSPCSAY197 MITSFLDNGH207 GECLMDKPQN 217 PIQLPGDLPG227 TSYDANRQCQ237 FTFGEDSKHC247 PTCSTLWCTG261 VLVCQTKHFP 275 WADGTSCGEG285 KWCINGKCVN295 KLVP
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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 .QHF or .QHF2 or .QHF3 or :3QHF;style chemicals stick;color identity;select .A:116 or .A:117 or .A:118 or .A:119 or .A:120 or .A:121 or .A:123 or .A:142 or .A:145 or .A:146 or .A:149 or .A:150 or .A:153 or .A:157 or .A:159 or .A:176 or .A:177 or .A:179 or .A:180 or .A:181 or .A:182 or .A:185 or .A:274; color #00ffc7; zoom selection;set surface opacity 0.5;set surface Van der Waals surface;set mode all
|
ASP116
4.226
THR117
3.580
LEU118
3.017
GLY119
3.297
MET120
3.319
ALA121
3.389
VAL123
3.141
GLN142
3.603
PHE145
3.420
THR146
3.333
HIS149
3.248
GLU150
2.689
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| References | Top | ||||
|---|---|---|---|---|---|
| REF 1 | Crystal structures of human ADAMTS-1 reveal a conserved catalytic domain and a disintegrin-like domain with a fold homologous to cysteine-rich domains. J Mol Biol. 2007 Nov 2;373(4):891-902. | ||||
| REF 2 | The design and synthesis of novel N-hydroxyformamide inhibitors of ADAM-TS4 for the treatment of osteoarthritis. Bioorg Med Chem Lett. 2011 Mar 1;21(5):1376-81. | ||||
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