Protein: PTPN11
Published: Dec. 13, 2017
Method: X-ray diffraction
Resolution: 2.220
Publication: Identification of an allosteric benzothiazolopyrimidone inhibitor of the oncogenic protein tyrosine phosphatase SHP2.
| Protein | Domain | N-term | bA | bAaA | aA | aAbB | bB | bBbC | bC | bCbD | bD | bDbE | bE | bEbF | bF | bFaB | aB | C-term | ||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||
|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|
| x50 | x51 | x52 | x53 | x42 | x43 | x44 | x45 | x46 | x47 | x48 | x49 | x50 | x51 | x52 | x53 | x54 | x45 | x46 | x47 | x48 | x49 | x50 | x51 | x52 | x49 | x50 | x47 | x48 | x49 | x50 | x51 | x52 | x53 | x54 | x55 | x56 | x44 | x45 | x46 | x47 | x48 | x49 | x50 | x51 | x52 | x53 | x54 | x55 | x56 | x48 | x49 | x50 | x48 | x49 | x50 | x46 | x47 | x48 | x49 | x50 | x51 | x52 | x53 | x54 | x55 | x56 | x57 | |||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||
| PTPN11 | N-terminal | - | - | - | - | - | - | - | - | - | - | - | - | - | - | - | - | - | M | T | S | R | R | W | F | H | P | N | I | T | G | V | E | A | E | N | L | L | L | T | R | G | V | D | G | S | F | L | A | R | P | S | K | S | N | P | G | D | F | T | L | S | V | R | R | - | - | N | G | - | - | - | - | - | - | - | - | A | V | T | H | I | K | I | Q | N | T | G | D | Y | Y | D | L | Y | G | G | E | K | F | A | T | L | A | E | L | V | Q | Y | Y | M | E | H | H | G | Q | L | K | E | K | N | G | D | V | I | E | L | K | Y | P | L | N | C | A | D | P | |
| PTPN11 | 6BN5_N_A | - | - | - | - | - | - | - | - | - | - | - | - | - | - | - | - | - | - | - | - | - | - | W | F | H | P | N | I | T | G | V | E | A | E | N | L | L | L | T | R | G | V | D | G | S | F | L | A | R | P | S | - | - | - | - | - | D | F | T | L | S | V | R | - | - | - | - | - | - | - | - | - | - | - | - | - | A | V | T | H | I | K | I | Q | N | T | G | D | Y | Y | D | L | Y | G | G | E | K | F | A | T | L | A | E | L | V | Q | Y | Y | M | E | H | I | E | L | K | Y | P | L | N | C | A | D | P | - | - | - | - | - | - | - | - | - | - | - | |
| PTPN11 | 6BN5_N_B | - | - | - | - | - | - | - | - | - | - | - | - | - | - | - | - | - | - | - | - | R | R | W | F | H | P | N | I | T | G | V | E | A | E | N | L | L | L | T | R | G | V | D | G | S | F | L | A | R | P | S | P | G | - | - | - | D | F | T | L | S | V | R | R | - | - | N | G | - | - | - | - | - | - | - | - | A | V | T | H | I | K | I | Q | N | T | G | D | Y | Y | D | L | Y | G | G | E | K | F | A | T | L | A | E | L | V | Q | Y | Y | M | E | H | E | L | K | Y | P | L | N | C | A | D | P | - | - | - | - | - | - | - | - | - | - | - | - | |
| PTPN11 | C-terminal | E | K | N | G | D | V | I | E | L | K | Y | P | L | N | C | A | D | P | T | S | E | R | W | F | H | G | H | L | S | G | K | E | A | E | K | L | L | T | E | K | G | K | H | G | S | F | L | V | R | E | S | Q | S | H | P | G | D | F | V | L | S | V | R | T | G | D | D | K | G | E | S | N | D | G | K | S | K | V | T | H | V | M | I | R | C | Q | E | L | K | Y | D | V | G | G | G | E | R | F | D | S | L | T | D | L | V | E | H | Y | K | K | N | P | M | V | E | T | L | G | T | V | L | Q | L | K | Q | P | L | N | T | T | R | I | N | A | |
| PTPN11 | 6BN5_C_A | - | - | - | - | - | - | I | E | L | K | Y | P | L | N | C | A | D | P | T | S | E | R | W | F | H | G | H | L | S | G | K | E | A | E | K | L | L | T | - | - | - | H | - | G | S | F | L | V | R | E | - | P | G | - | - | - | D | F | V | L | S | V | R | T | G | D | - | - | - | - | - | - | - | - | - | S | K | V | T | H | V | M | I | R | C | Q | E | L | K | Y | D | V | G | G | G | E | R | F | D | S | L | T | D | L | V | E | H | Y | K | K | N | P | M | V | E | T | L | G | T | V | L | Q | L | K | Q | P | N | T | T | R | I | N | A | - | |
| PTPN11 | 6BN5_C_B | - | - | - | - | - | - | - | - | - | E | L | K | Y | P | L | N | C | A | D | P | E | R | W | F | H | G | H | L | S | - | - | - | - | - | - | L | L | T | E | K | G | K | H | G | S | F | L | V | R | E | - | P | G | - | - | - | D | F | V | L | S | V | R | T | G | - | - | - | - | - | - | - | - | - | - | - | K | V | T | H | V | M | I | R | C | Q | E | L | K | Y | D | V | G | G | G | E | R | F | D | S | L | T | D | L | V | E | H | Y | K | K | N | P | M | V | T | V | L | Q | L | K | Q | P | L | N | T | T | R | I | N | A | - | - | - | - | |