
PDB-code
More entries for 1M52 | |||
1M52 | Chain: | B |
Structural information | |
DFG conformation: | out-like |
αC-helix conformation: | in |
G-rich loop angle (distance): | 55.4° (16.8Å) |
G-rich loop rotation: | 1.2° |
Quality Score: | 8 |
Resolution: | 2.6 Å |
Missing Residues: | 0 |
Missing Atoms: | 0 |
Ligand binding mode | ||||
Pockets | Subpockets | |||
front gate back | BP-I-A BP-I-B |
Pocket alignment | |
Uniprot sequence: | HKLGGGQYGEVYEVAVKTLEFLKEAAVMKEIKPNLVQLLGVYIITEFMTYGNLLDYLREYLEKKNFIHRDLAARNCLVVADFGLS |
Sequence structure: | HKLGGGQYGEVYEVAVKTLEFLKEAAVMKEIKPNLVQLLGVYIITEFMTYGNLLDYLREYLEKKNFIHRDLAARNCLVVADFGLS |
Ligand affinity | |
ChEMBL ID: | CHEMBL386051 |
Bioaffinities: | 198 records for 148 kinases |
Species | Kinase (ChEMBL naming) | Median | Min | Max | Type | Records |
---|---|---|---|---|---|---|
Homo sapiens | Activin receptor type-1 | 6.8 | 6.8 | 6.8 | pKd | 1 |
Homo sapiens | Activin receptor type-1B | 7 | 7 | 7 | pKd | 1 |
Homo sapiens | Activin receptor type-2A | 8 | 8 | 8 | pKd | 1 |
Homo sapiens | Activin receptor type-2B | 8 | 8 | 8 | pKd | 1 |
Homo sapiens | Bone morphogenetic protein receptor type-1A | 6.8 | 6.8 | 6.8 | pKd | 1 |
Homo sapiens | Bone morphogenetic protein receptor type-1B | 8.4 | 8.4 | 8.4 | pKd | 1 |
Homo sapiens | BR serine/threonine-protein kinase 1 | 5.5 | 5.5 | 5.5 | pKd | 1 |
Homo sapiens | BR serine/threonine-protein kinase 2 | 5.1 | 5.1 | 5.1 | pKd | 1 |
Homo sapiens | c-Jun N-terminal kinase 1 | 5.8 | 5.8 | 5.8 | pKd | 1 |
Homo sapiens | Discoidin domain-containing receptor 2 | 7.9 | 7.9 | 7.9 | pKd | 1 |
Homo sapiens | Dual specificity mitogen-activated protein kinase kinase 1 | 6.1 | 6.1 | 6.1 | pKd | 1 |
Homo sapiens | Dual specificity mitogen-activated protein kinase kinase 2 | 5.7 | 5.7 | 5.7 | pKd | 1 |
Homo sapiens | Dual specificity mitogen-activated protein kinase kinase 3 | 5.3 | 5.3 | 5.3 | pKd | 1 |
Homo sapiens | Dual specificity mitogen-activated protein kinase kinase 4 | 6.5 | 6.5 | 6.5 | pKd | 1 |
Homo sapiens | Dual specificity mitogen-activated protein kinase kinase 5 | 7.2 | 7.2 | 7.2 | pKd | 1 |
Homo sapiens | Dual specificity mitogen-activated protein kinase kinase 6 | 5.4 | 5.4 | 5.4 | pKd | 1 |
Homo sapiens | Dual specificity testis-specific protein kinase 1 | 7.1 | 7.1 | 7.1 | pKd | 1 |
Homo sapiens | Ephrin type-A receptor 1 | 8.2 | 8.2 | 8.2 | pKd | 1 |
Homo sapiens | Ephrin type-A receptor 2 | 8.4 | 8.4 | 8.4 | pKd | 1 |
Homo sapiens | Ephrin type-A receptor 3 | 8.1 | 8.1 | 8.1 | pKd | 1 |
Homo sapiens | Ephrin type-A receptor 4 | 8.1 | 8.1 | 8.1 | pKd | 1 |
Homo sapiens | Ephrin type-A receptor 5 | 7.9 | 7.9 | 7.9 | pKd | 1 |
Homo sapiens | Ephrin type-A receptor 6 | 7.2 | 7.2 | 7.2 | pKd | 1 |
Homo sapiens | Ephrin type-A receptor 8 | 8.2 | 8.2 | 8.2 | pKd | 1 |
Homo sapiens | Ephrin type-B receptor 1 | 8.4 | 8.4 | 8.4 | pKd | 1 |
Homo sapiens | Ephrin type-B receptor 2 | 7.7 | 7.7 | 7.7 | pKd | 1 |
Homo sapiens | Ephrin type-B receptor 3 | 6.5 | 6.5 | 6.5 | pKd | 1 |
Homo sapiens | Ephrin type-B receptor 4 | 7.9 | 7.9 | 7.9 | pKd | 1 |
Homo sapiens | Epidermal growth factor receptor erbB1 | 6 | 5.6 | 6.8 | pKd | 10 |
Homo sapiens | Epithelial discoidin domain-containing receptor 1 | 8.6 | 8.6 | 8.6 | pKd | 1 |
Homo sapiens | Eukaryotic translation initiation factor 2-alpha kinase 4 | 7.6 | 7.6 | 7.6 | pKd | 1 |
Homo sapiens | Fibroblast growth factor receptor 1 | 5.9 | 5.9 | 5.9 | pIC50 | 1 |
Homo sapiens | Fibroblast growth factor receptor 1 | 7.2 | 7.2 | 7.2 | pKd | 1 |
Homo sapiens | Fibroblast growth factor receptor 2 | 7.5 | 7.5 | 7.5 | pKd | 1 |
Homo sapiens | Fibroblast growth factor receptor 3 | 7.3 | 7.3 | 7.3 | pKd | 2 |
Homo sapiens | Fibroblast growth factor receptor 4 | 6.3 | 6.3 | 6.3 | pKd | 1 |
Homo sapiens | Hepatocyte growth factor receptor | 6.1 | 6 | 6.1 | pKd | 3 |
Homo sapiens | Leucine-rich repeat serine/threonine-protein kinase 2 | 5.1 | 5.1 | 5.3 | pKd | 2 |
Homo sapiens | LIM domain kinase 1 | 6 | 6 | 6 | pKd | 1 |
Homo sapiens | LIM domain kinase 2 | 6.5 | 6.5 | 6.5 | pKd | 1 |
Homo sapiens | Macrophage colony stimulating factor receptor | 9.2 | 9.2 | 9.2 | pKd | 1 |
Homo sapiens | Macrophage-stimulating protein receptor | 5.6 | 5.6 | 5.6 | pKd | 1 |
Homo sapiens | MAP kinase p38 alpha | 7.2 | 7.2 | 7.2 | pKd | 1 |
Homo sapiens | MAP kinase p38 beta | 7 | 7 | 7 | pKd | 1 |
Homo sapiens | MAP/microtubule affinity-regulating kinase 2 | 5 | 5 | 5 | pKd | 1 |
Homo sapiens | Misshapen-like kinase 1 | 6.2 | 6.2 | 6.2 | pKd | 1 |
Homo sapiens | Mitogen-activated protein kinase 4 | 6 | 6 | 6 | pKd | 1 |
Homo sapiens | Mitogen-activated protein kinase 6 | 6.8 | 6.8 | 6.8 | pKd | 1 |
Homo sapiens | Mitogen-activated protein kinase kinase kinase 10 | 5.3 | 5.3 | 5.3 | pKd | 1 |
Homo sapiens | Mitogen-activated protein kinase kinase kinase 11 | 6.3 | 6.3 | 6.3 | pKd | 2 |
Homo sapiens | Mitogen-activated protein kinase kinase kinase 2 | 6.2 | 6.2 | 6.2 | pKd | 1 |
Homo sapiens | Mitogen-activated protein kinase kinase kinase 3 | 6.4 | 6.4 | 6.4 | pKd | 1 |
Homo sapiens | Mitogen-activated protein kinase kinase kinase 4 | 7.3 | 7.3 | 7.3 | pKd | 1 |
Homo sapiens | Mitogen-activated protein kinase kinase kinase 9 | 6.4 | 6.4 | 6.4 | pKd | 1 |
Homo sapiens | Mitogen-activated protein kinase kinase kinase kinase 1 | 6.7 | 6.7 | 6.7 | pKd | 1 |
Homo sapiens | Mitogen-activated protein kinase kinase kinase kinase 2 | 5.9 | 5.9 | 5.9 | pKd | 1 |
Homo sapiens | Mitogen-activated protein kinase kinase kinase kinase 3 | 6.4 | 6.4 | 6.4 | pKd | 1 |
Homo sapiens | Mitogen-activated protein kinase kinase kinase kinase 4 | 6.1 | 6.1 | 6.1 | pKd | 1 |
Homo sapiens | Mitogen-activated protein kinase kinase kinase kinase 5 | 6.6 | 6.6 | 6.6 | pKd | 1 |
Homo sapiens | Mixed lineage kinase 7 | 6.5 | 6.5 | 6.5 | pKd | 1 |
Homo sapiens | Myosin light chain kinase | 6.9 | 6.9 | 6.9 | pKd | 1 |
Homo sapiens | myosin light chain kinase 2 | 6.7 | 6.7 | 6.7 | pKd | 1 |
Homo sapiens | Non-receptor tyrosine-protein kinase TNK1 | 6.4 | 6.4 | 6.4 | pKd | 1 |
Homo sapiens | NT-3 growth factor receptor | 5.2 | 5.2 | 5.2 | pKd | 1 |
Homo sapiens | Platelet-derived growth factor receptor alpha | 8.3 | 8.3 | 8.3 | pKd | 1 |
Homo sapiens | Platelet-derived growth factor receptor beta | 8.9 | 8.9 | 8.9 | pKd | 1 |
Homo sapiens | Protein tyrosine kinase 2 beta | 5.3 | 5.3 | 5.3 | pKd | 1 |
Homo sapiens | Putative uncharacterized serine/threonine-protein kinase SgK110 | 6 | 6 | 6 | pKd | 1 |
Homo sapiens | Receptor-interacting serine/threonine-protein kinase 1 | 5.5 | 5.5 | 5.5 | pKd | 1 |
Homo sapiens | Receptor protein-tyrosine kinase erbB-4 | 6 | 6 | 6 | pKd | 1 |
Homo sapiens | Receptor tyrosine-protein kinase erbB-3 | 6.9 | 6.9 | 6.9 | pKd | 1 |
Homo sapiens | Serine/threonine-protein kinase 10 | 5.8 | 5.8 | 5.8 | pKd | 1 |
Homo sapiens | Serine/threonine-protein kinase 2 | 5.4 | 5.4 | 5.4 | pKd | 1 |
Homo sapiens | Serine/threonine-protein kinase 24 | 5.6 | 5.6 | 5.6 | pKd | 1 |
Homo sapiens | Serine/threonine-protein kinase 25 | 5.6 | 5.6 | 5.6 | pKd | 1 |
Homo sapiens | Serine/threonine-protein kinase 32A | 5.6 | 5.6 | 5.6 | pKd | 1 |
Homo sapiens | Serine/threonine-protein kinase 32B | 5.9 | 5.9 | 5.9 | pKd | 1 |
Homo sapiens | Serine/threonine-protein kinase 35 | 6.4 | 6.4 | 6.4 | pKd | 1 |
Homo sapiens | Serine/threonine-protein kinase 36 | 6.5 | 6.5 | 6.5 | pKd | 1 |
Homo sapiens | Serine/threonine-protein kinase Aurora-C | 5.3 | 5.3 | 5.3 | pKd | 1 |
Homo sapiens | Serine/threonine-protein kinase B-raf | 8.2 | 8.2 | 8.4 | pKd | 2 |
Homo sapiens | Serine/threonine-protein kinase c-TAK1 | 6.1 | 6.1 | 6.1 | pKd | 1 |
Homo sapiens | Serine/threonine-protein kinase GAK | 8.1 | 8.1 | 8.1 | pKd | 1 |
Homo sapiens | Serine/threonine-protein kinase MRCK-A | 5.9 | 5.9 | 5.9 | pKd | 1 |
Homo sapiens | Serine/threonine-protein kinase MRCK beta | 6 | 6 | 6 | pKd | 1 |
Homo sapiens | Serine/threonine-protein kinase MRCK gamma | 6.6 | 6.6 | 6.6 | pKd | 1 |
Homo sapiens | Serine/threonine-protein kinase MST1 | 5.4 | 5.4 | 5.4 | pKd | 1 |
Homo sapiens | Serine/threonine-protein kinase MST2 | 5.8 | 5.8 | 5.8 | pKd | 1 |
Homo sapiens | Serine/threonine-protein kinase MST4 | 5.4 | 5.4 | 5.4 | pKd | 1 |
Homo sapiens | Serine/threonine-protein kinase Nek1 | 5.1 | 5.1 | 5.1 | pKd | 1 |
Homo sapiens | Serine/threonine-protein kinase Nek11 | 5.5 | 5.5 | 5.5 | pKd | 1 |
Homo sapiens | Serine/threonine-protein kinase NEK2 | 7 | 7 | 7 | pKd | 1 |
Homo sapiens | Serine/threonine-protein kinase Nek5 | 6.1 | 6.1 | 6.1 | pKd | 1 |
Homo sapiens | Serine/threonine-protein kinase NIM1 | 5.2 | 5.2 | 5.2 | pKd | 1 |
Homo sapiens | Serine/threonine protein kinase NLK | 7.5 | 7.5 | 7.5 | pKd | 1 |
Homo sapiens | Serine/threonine-protein kinase PLK3 | 5.7 | 5.7 | 5.7 | pKd | 1 |
Homo sapiens | Serine/threonine-protein kinase RAF | 7.6 | 7.6 | 7.6 | pKd | 1 |
Homo sapiens | Serine/threonine-protein kinase receptor R3 | 7.2 | 7.2 | 7.2 | pKd | 1 |
Homo sapiens | Serine/threonine-protein kinase RIPK2 | 7.8 | 7.8 | 7.8 | pKd | 1 |
Homo sapiens | Serine/threonine-protein kinase SIK1 | 8.2 | 8.2 | 8.2 | pKd | 1 |
Homo sapiens | Serine/threonine-protein kinase SIK2 | 7.6 | 7.6 | 7.6 | pKd | 1 |
Homo sapiens | Serine/threonine-protein kinase SIK3 | 7 | 7 | 7 | pKd | 1 |
Homo sapiens | Serine/threonine-protein kinase TAO1 | 6.1 | 6.1 | 6.1 | pKd | 1 |
Homo sapiens | Serine/threonine-protein kinase TAO2 | 6.4 | 6.4 | 6.4 | pKd | 1 |
Homo sapiens | Serine/threonine-protein kinase TAO3 | 6.4 | 6.4 | 6.4 | pKd | 1 |
Homo sapiens | Serine/threonine-protein kinase TNNI3K | 7.3 | 7.3 | 7.3 | pKd | 1 |
Homo sapiens | Serine/threonine-protein kinase WEE1 | 7.2 | 7.2 | 7.2 | pKd | 1 |
Homo sapiens | SPS1/STE20-related protein kinase YSK4 | 6.6 | 6.6 | 6.6 | pKd | 1 |
Homo sapiens | Stem cell growth factor receptor | 7.5 | 6.3 | 8.8 | pKd | 7 |
Homo sapiens | TGF-beta receptor type I | 5.8 | 5.8 | 5.8 | pKd | 1 |
Homo sapiens | TGF-beta receptor type II | 6.6 | 6.6 | 6.6 | pKd | 1 |
Homo sapiens | TRAF2- and NCK-interacting kinase | 6.4 | 6.4 | 6.4 | pKd | 1 |
Homo sapiens | Tyrosine- and threonine-specific cdc2-inhibitory kinase | 7.4 | 7.4 | 7.4 | pKd | 1 |
Homo sapiens | Tyrosine kinase non-receptor protein 2 | 7.6 | 7.6 | 7.6 | pKd | 1 |
Homo sapiens | Tyrosine-protein kinase ABL | 8.9 | 5.7 | 9.3 | pKd | 15 |
Homo sapiens | Tyrosine-protein kinase ABL | 9.7 | 9.7 | 9.7 | pKi | 1 |
Homo sapiens | Tyrosine-protein kinase ABL2 | 9.2 | 9.2 | 9.2 | pKd | 1 |
Homo sapiens | Tyrosine-protein kinase BLK | 8.8 | 8.8 | 8.8 | pKd | 1 |
Homo sapiens | Tyrosine-protein kinase BMX | 7.5 | 7.5 | 7.5 | pKd | 1 |
Homo sapiens | Tyrosine-protein kinase BRK | 7.3 | 7.3 | 7.3 | pKd | 1 |
Homo sapiens | Tyrosine-protein kinase BTK | 6.7 | 6.7 | 6.7 | pKd | 1 |
Homo sapiens | Tyrosine-protein kinase CSK | 7.2 | 7.2 | 7.2 | pKd | 1 |
Homo sapiens | Tyrosine-protein kinase FER | 5.5 | 5.5 | 5.5 | pKd | 1 |
Homo sapiens | Tyrosine-protein kinase FES | 6.2 | 6.2 | 6.2 | pKd | 1 |
Homo sapiens | Tyrosine-protein kinase FGR | 8.6 | 8.6 | 8.6 | pKd | 1 |
Homo sapiens | Tyrosine-protein kinase FRK | 8.4 | 8.4 | 8.4 | pKd | 1 |
Homo sapiens | Tyrosine-protein kinase FYN | 8.3 | 8.3 | 8.3 | pKd | 1 |
Homo sapiens | Tyrosine-protein kinase HCK | 8.5 | 8.5 | 8.5 | pKd | 1 |
Homo sapiens | Tyrosine-protein kinase JAK1 | 6.5 | 6.5 | 6.5 | pKd | 2 |
Homo sapiens | Tyrosine-protein kinase JAK2 | 7 | 7 | 7 | pKd | 2 |
Homo sapiens | Tyrosine-protein kinase JAK3 | 6.3 | 6.3 | 6.3 | pKd | 2 |
Homo sapiens | Tyrosine-protein kinase LCK | 9 | 9 | 9 | pKd | 1 |
Homo sapiens | Tyrosine-protein kinase Lyn | 8.7 | 8.7 | 8.7 | pKd | 1 |
Homo sapiens | Tyrosine-protein kinase receptor FLT3 | 6.1 | 5.5 | 6.9 | pKd | 7 |
Homo sapiens | Tyrosine-protein kinase receptor RET | 7.2 | 5.2 | 7.3 | pKd | 3 |
Homo sapiens | Tyrosine-protein kinase receptor Tie-1 | 5.9 | 5.9 | 5.9 | pKd | 1 |
Homo sapiens | Tyrosine-protein kinase receptor TYRO3 | 6.4 | 6.4 | 6.4 | pKd | 1 |
Homo sapiens | Tyrosine-protein kinase SRC | 7.6 | 7.6 | 7.6 | pIC50 | 1 |
Homo sapiens | Tyrosine-protein kinase SRC | 9.2 | 9.2 | 9.2 | pKd | 1 |
Homo sapiens | Tyrosine-protein kinase Srms | 6.2 | 6.2 | 6.2 | pKd | 1 |
Homo sapiens | Tyrosine-protein kinase SYK | 6.4 | 6.4 | 6.4 | pKd | 1 |
Homo sapiens | Tyrosine-protein kinase TEC | 6.2 | 6.2 | 6.2 | pKd | 1 |
Homo sapiens | Tyrosine-protein kinase TIE-2 | 6.6 | 6.6 | 6.6 | pKd | 1 |
Homo sapiens | Tyrosine-protein kinase TXK | 7.5 | 7.5 | 7.5 | pKd | 1 |
Homo sapiens | Tyrosine-protein kinase TYK2 | 6.4 | 6.4 | 6.4 | pKd | 2 |
Homo sapiens | Tyrosine-protein kinase YES | 8.6 | 8.6 | 8.6 | pKd | 1 |
Homo sapiens | Uncharacterized aarF domain-containing protein kinase 4 | 7.6 | 7.6 | 7.6 | pKd | 1 |
Homo sapiens | Vascular endothelial growth factor receptor 1 | 7.6 | 7.6 | 7.6 | pKd | 1 |
Homo sapiens | Vascular endothelial growth factor receptor 2 | 6.2 | 6.2 | 6.2 | pKd | 1 |
Homo sapiens | Vascular endothelial growth factor receptor 3 | 6.1 | 6.1 | 6.1 | pKd | 1 |
Homo sapiens | Wee1-like protein kinase 2 | 7.2 | 7.2 | 7.2 | pKd | 1 |
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 H 246 | 2 K 247 | 3 L 248 | 4 G 249 | 5 G 250 | 6 G 251 | 7 Q 252 | 8 Y 253 | 9 G 254 | 10 E 255 | 11 V 256 | 12 Y 257 | 13 E 258 | 14 V 268 | 15 A 269 | 16 V 270 | 17 K 271 | 18 T 272 | 19 L 273 | 20 E 282 |
• | • | • | • | • | • | • | |||||||||||||
αC | b.l | IV | |||||||||||||||||
21 F 283 | 22 L 284 | 23 K 285 | 24 E 286 | 25 A 287 | 26 A 288 | 27 V 289 | 28 M 290 | 29 K 291 | 30 E 292 | 31 I 293 | 32 K 294 | 33 P 296 | 34 N 297 | 35 L 298 | 36 V 299 | 37 Q 300 | 38 L 301 | 39 L 302 | 40 G 303 |
• | • | • | |||||||||||||||||
IV | V | GK | hinge | linker | αD | αE | |||||||||||||
41 V 304 | 42 Y 312 | 43 I 313 | 44 I 314 | 45 T 315 | 46 E 316 | 47 F 317 | 48 M 318 | 49 T 319 | 50 Y 320 | 51 G 321 | 52 N 322 | 53 L 323 | 54 L 324 | 55 D 325 | 56 Y 326 | 57 L 327 | 58 R 328 | 59 E 329 | 60 Y 353 |
• | • | •• | ••• | • | |||||||||||||||
αE | VI | c.l | VII | VIII | x | ||||||||||||||
61 L 354 | 62 E 355 | 63 K 356 | 64 K 357 | 65 N 358 | 66 F 359 | 67 I 360 | 68 H 361 | 69 R 362 | 70 D 363 | 71 L 364 | 72 A 365 | 73 A 366 | 74 R 367 | 75 N 368 | 76 C 369 | 77 L 370 | 78 V 371 | 79 V 379 | 80 A 380 |
• | • | ||||||||||||||||||
DFG | a.l | ||||||||||||||||||
81 D 381 | 82 F 382 | 83 G 383 | 84 L 384 | 85 S 385 | |||||||||||||||
•• |
Interaction pattern search
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