3FI2
Crystal structure of JNK3 with amino-pyrazole inhibitor, SR-3451
Entity
| Entity ID | Chain ID | Description | Type | Chain length | Formula weight | Number of molecules | DB Name (Accession) | Biological source | Descriptive keywords |
| 1 | A (A) | Mitogen-activated protein kinase 10 | polymer | 353 | 40765.3 | 1 | UniProt (P53779) Pfam (PF00069) | Homo sapiens (human) | Stress-activated protein kinase JNK3, c-Jun N-terminal kinase 3, MAP kinase p49 3F12 |
| 2 | B (A) | 3-{4-[(phenylcarbamoyl)amino]-1H-pyrazol-1-yl}-N-(3,4,5-trimethoxyphenyl)benzamide | non-polymer | 487.5 | 1 | Chemie (JK1) | |||
| 3 | C (A) | 1,2-ETHANEDIOL | non-polymer | 62.1 | 1 | Chemie (EDO) | |||
| 4 | D (A) | water | water | 18.0 | 155 | Chemie (HOH) |
Sequence modifications
A: 39 - 402 (UniProt: P53779)
| PDB | External Database | Details |
|---|---|---|
| - | Asp 364 | SEE REMARK 999 |
| - | Pro 365 | SEE REMARK 999 |
| - | Ala 366 | SEE REMARK 999 |
| - | Glu 367 | SEE REMARK 999 |
| - | Val 368 | SEE REMARK 999 |
| - | Glu 369 | SEE REMARK 999 |
| - | Ala 370 | SEE REMARK 999 |
| - | Pro 371 | SEE REMARK 999 |
| - | Pro 372 | SEE REMARK 999 |
| - | Pro 373 | SEE REMARK 999 |
| - | Gln 374 | SEE REMARK 999 |
| Unk 500 | Ile 375 | SEE REMARK 999 |
| Unk 501 | Tyr 376 | SEE REMARK 999 |
| Unk 502 | Asp 377 | SEE REMARK 999 |
| Unk 503 | Lys 378 | SEE REMARK 999 |
| Unk 504 | Gln 379 | SEE REMARK 999 |
| Unk 505 | Leu 380 | SEE REMARK 999 |
Sequence viewer
Contents of the asymmetric unit
| Polymers | Number of chains | 1 |
| Total formula weight | 40765.3 | |
| Non-Polymers* | Number of molecules | 2 |
| Total formula weight | 549.6 | |
| All* | Total formula weight | 41314.9 |
