PDB-code
| Kinase structure | |
| Kinase: | BMPR2 |
| Family: | STKR |
| Group: | TKL |
| Species: | HUMAN |
| IUPHAR/BPS ID: | 1794 |
| PDB: | 3G2F |
| sc-PDB: | |
| KIDFamMap: | Search |
| Release date: | 2009-02-17 |
| PubMed: | 31797984 |
| Chain: | A |
| (Alternate) Model: | B |
| Orthosteric ligand: | ADP |
 | |
| More entries for 3G2F | |||||
| 3G2F | Alternative model: | A | Chain: | A | |
| 3G2F | Alternative model: | A | Chain: | B | |
| 3G2F | Alternative model: | B | Chain: | B | |
| Structural information | |
| DFG conformation: | in |
| αC-helix conformation: | in |
| G-rich loop angle (distance): | 46.3° (14.1Å) |
| G-rich loop rotation: | 54.8° |
| Quality Score: | 7.6 |
| Resolution: | 2.35 Å |
| Missing Residues: | 1 |
| Missing Atoms: | 0 |
| Ligand binding mode | ||||
| Pockets | Subpockets | Waters | ||
| front | FP-II | Cluster I1 I5 I7 I11 | Ligand Yes No Yes Yes | Protein Yes Yes Yes No |
| Pocket alignment | |
| Uniprot sequence: | ELIGRGRYGAVYKVAVKVFNFINEKNIYRVPLDNIARFIVGLLVMEYYPNGSLCKYLSLDHYKPAISHRDLNSRNVLVISDFGLS |
| Sequence structure: | ELIGRGRYGAVYKVAVKVFNFINEKNIYRVPLDNIARFIVGLLVMEYYPNGSL_KYLSLDHYKPAISHRDLNSRNVLVISDFGLS |
| Ligand affinity | |
| ChEMBL ID: | CHEMBL14830 |
| Bioaffinities: | 2 records for 1 kinase |
| Species | Kinase (ChEMBL naming) | Median | Min | Max | Type | Records |
|---|---|---|---|---|---|---|
| Homo sapiens | Mitogen-activated protein kinase kinase kinase 7 | 4.2 | 4.2 | 5.4 | pKd | 2 |
Kinase-ligand interaction pattern
• Hydrophobic • Aromatic face-to-face • Aromatic face-to-edge • H-bond donor • H-bond acceptor • Ionic positive • Ionic negative
| I | g.l | II | III | αC | |||||||||||||||
| 1 E 207 | 2 L 208 | 3 I 209 | 4 G 210 | 5 R 211 | 6 G 212 | 7 R 213 | 8 Y 214 | 9 G 215 | 10 A 216 | 11 V 217 | 12 Y 218 | 13 K 219 | 14 V 227 | 15 A 228 | 16 V 229 | 17 K 230 | 18 V 231 | 19 F 232 | 20 N 239 |
| • | • | • | • | • | • | • | • | •• | |||||||||||
| αC | b.l | IV | |||||||||||||||||
| 21 F 240 | 22 I 241 | 23 N 242 | 24 E 243 | 25 K 244 | 26 N 245 | 27 I 246 | 28 Y 247 | 29 R 248 | 30 V 249 | 31 P 250 | 32 L 251 | 33 D 255 | 34 N 256 | 35 I 257 | 36 A 258 | 37 R 259 | 38 F 260 | 39 I 261 | 40 V 262 |
| IV | V | GK | hinge | linker | αD | αE | |||||||||||||
| 41 G 263 | 42 L 276 | 43 L 277 | 44 V 278 | 45 M 279 | 46 E 280 | 47 Y 281 | 48 Y 282 | 49 P 283 | 50 N 284 | 51 G 285 | 52 S 286 | 53 L 287 | 54 _ _ | 55 K 289 | 56 Y 290 | 57 L 291 | 58 S 292 | 59 L 293 | 60 D 323 |
| • | • | • | ••• | • | • | ||||||||||||||
| αE | VI | c.l | VII | VIII | x | ||||||||||||||
| 61 H 324 | 62 Y 325 | 63 K 326 | 64 P 327 | 65 A 328 | 66 I 329 | 67 S 330 | 68 H 331 | 69 R 332 | 70 D 333 | 71 L 334 | 72 N 335 | 73 S 336 | 74 R 337 | 75 N 338 | 76 V 339 | 77 L 340 | 78 V 341 | 79 I 349 | 80 S 350 |
| • | |||||||||||||||||||
| DFG | a.l | ||||||||||||||||||
| 81 D 351 | 82 F 352 | 83 G 353 | 84 L 354 | 85 S 355 | |||||||||||||||
Interaction pattern search
Search KLIFS for kinase-ligand complexes with similar interaction patterns:
