PDB-code
| Kinase structure | |
| Kinase: | PRKCA (PKCa) |
| Family: | PKC |
| Group: | AGC |
| Species: | HUMAN |
| IUPHAR/BPS ID: | 1482 |
| PDB: | 3IW4 |
| sc-PDB: | |
| KIDFamMap: | Search |
| Release date: | 2009-11-03 |
| PubMed: | 19827831 |
| Chain: | B |
| Orthosteric ligand: | LW4 |
 | |
| More entries for 3IW4 | |||
| 3IW4 | Chain: | A | |
| 3IW4 | Chain: | C | |
| Structural information | |
| DFG conformation: | in |
| αC-helix conformation: | in |
| G-rich loop angle (distance): | 50.9° (15.9Å) |
| G-rich loop rotation: | 42.3° |
| Quality Score: | 8 |
| Resolution: | 2.8 Å |
| Missing Residues: | 0 |
| Missing Atoms: | 0 |
| Ligand binding mode | ||||
| Pockets | Subpockets | |||
| front gate | FP-I BP-I-B | |||
| Pocket alignment | |
| Uniprot sequence: | MVLGKGSFGKVMLYAIKILCTMVEKRVLALLDPFLTQLHSCYFVMEYVNGGDLMYHIQQFLHKRGIIYRDLKLDNVMLIADFGMC |
| Sequence structure: | MVLGKGSFGKVMLYAIKILCTMVEKRVLALLDPFLTQLHSCYFVMEYVNGGDLMYHIQQFLHKRGIIYRDLKLDNVMLIADFGMC |
| Ligand affinity | |
| ChEMBL ID: | CHEMBL565612 |
| Bioaffinities: | 84 records for 60 kinases |
| Species | Kinase (ChEMBL naming) | Median | Min | Max | Type | Records |
|---|---|---|---|---|---|---|
| Homo sapiens | 3-phosphoinositide dependent protein kinase-1 | 5.8 | 5.8 | 5.8 | pKi | 1 |
| Homo sapiens | AMP-activated protein kinase, alpha-1 subunit | 6.2 | 6.2 | 6.2 | pKi | 1 |
| Homo sapiens | BR serine/threonine-protein kinase 1 | 5.6 | 5.6 | 5.6 | pKi | 1 |
| Homo sapiens | CaM kinase I delta | 5.8 | 5.8 | 5.8 | pKi | 1 |
| Homo sapiens | CaM kinase II alpha | 5.5 | 5.5 | 5.5 | pKi | 1 |
| Homo sapiens | CaM kinase II beta | 5.6 | 5.6 | 5.6 | pKi | 1 |
| Homo sapiens | CaM kinase II delta | 7.5 | 7.5 | 7.5 | pKi | 1 |
| Homo sapiens | CaM kinase II gamma | 7.1 | 7.1 | 7.1 | pKi | 1 |
| Homo sapiens | cGMP-dependent protein kinase 1 beta | 6.1 | 6.1 | 6.1 | pKi | 1 |
| Homo sapiens | Cyclin-dependent kinase 1 | 5.9 | 5.9 | 5.9 | pKi | 1 |
| Homo sapiens | Cyclin-dependent kinase 2 | 6.9 | 6.9 | 6.9 | pKi | 1 |
| Homo sapiens | Cyclin-dependent kinase 5 | 5.5 | 5.5 | 5.5 | pKi | 1 |
| Homo sapiens | Dual specificity mitogen-activated protein kinase kinase 1 | 5.5 | 5.5 | 5.5 | pKi | 1 |
| Homo sapiens | Dual-specificity tyrosine-phosphorylation regulated kinase 3 | 5.2 | 5.2 | 5.2 | pKi | 1 |
| Homo sapiens | Epidermal growth factor receptor erbB1 | 5.9 | 5.9 | 5.9 | pKi | 1 |
| Homo sapiens | Focal adhesion kinase 1 | 5.1 | 5.1 | 5.1 | pIC50 | 1 |
| Homo sapiens | Glycogen synthase kinase-3 alpha | 6.8 | 6.8 | 6.8 | pKi | 1 |
| Homo sapiens | Glycogen synthase kinase-3 beta | 6.1 | 6.1 | 6.1 | pIC50 | 1 |
| Homo sapiens | Glycogen synthase kinase-3 beta | 6.7 | 6.7 | 6.7 | pKi | 1 |
| Homo sapiens | G protein-coupled receptor kinase 5 | 6.2 | 6.2 | 6.2 | pKi | 1 |
| Homo sapiens | Leucine-rich repeat serine/threonine-protein kinase 2 | 5.9 | 5.9 | 5.9 | pKi | 1 |
| Homo sapiens | Leukocyte tyrosine kinase receptor | 5.6 | 5.6 | 5.6 | pKi | 1 |
| Homo sapiens | Macrophage-stimulating protein receptor | 6.8 | 6.8 | 6.8 | pKi | 1 |
| Homo sapiens | Misshapen-like kinase 1 | 8.1 | 8.1 | 8.1 | pKi | 1 |
| Homo sapiens | Mitogen-activated protein kinase kinase kinase kinase 4 | 6.8 | 6.8 | 6.8 | pKi | 1 |
| Homo sapiens | Mitogen-activated protein kinase kinase kinase kinase 5 | 6.8 | 6.8 | 6.8 | pKi | 1 |
| Homo sapiens | Platelet-derived growth factor receptor beta | 5.8 | 5.8 | 5.8 | pKi | 1 |
| Homo sapiens | Protein kinase C alpha | 8.7 | 8.7 | 8.7 | pIC50 | 3 |
| Homo sapiens | Protein kinase C beta | 8.7 | 8.7 | 8.7 | pIC50 | 3 |
| Mus musculus | Protein kinase C beta | 6.6 | 6.6 | 6.6 | pIC50 | 1 |
| Homo sapiens | Protein kinase C delta | 8.9 | 8.9 | 8.9 | pIC50 | 3 |
| Homo sapiens | Protein kinase C epsilon | 8.2 | 8.2 | 8.2 | pIC50 | 3 |
| Homo sapiens | Protein kinase C eta | 8.2 | 8.2 | 8.2 | pIC50 | 3 |
| Homo sapiens | Protein kinase C gamma | 7.9 | 7.9 | 7.9 | pKi | 1 |
| Homo sapiens | Protein kinase C iota | 6.4 | 6.4 | 6.4 | pKi | 1 |
| Homo sapiens | Protein kinase C theta | 9 | 7.1 | 9 | pIC50 | 4 |
| Homo sapiens | Protein kinase C theta | 9.2 | 9.2 | 9.2 | pKi | 1 |
| Homo sapiens | Protein kinase C zeta | 5.3 | 5.3 | 5.3 | pIC50 | 1 |
| Homo sapiens | Protein kinase C zeta | 7.2 | 7.2 | 7.2 | pKi | 1 |
| Homo sapiens | Protein kinase N2 | 6.6 | 6.6 | 6.6 | pKi | 1 |
| Homo sapiens | Pyruvate dehydrogenase kinase isoform 1 | 5.2 | 5.2 | 5.2 | pIC50 | 1 |
| Homo sapiens | Receptor protein-tyrosine kinase erbB-2 | 6.1 | 6.1 | 6.1 | pKi | 1 |
| Homo sapiens | Ribosomal protein S6 kinase 1 | 6.8 | 6.8 | 6.8 | pKi | 1 |
| Homo sapiens | Ribosomal protein S6 kinase alpha 3 | 6.9 | 6.9 | 6.9 | pKi | 2 |
| Homo sapiens | Serine/threonine-protein kinase 2 | 6.9 | 6.9 | 6.9 | pKi | 1 |
| Homo sapiens | Serine/threonine-protein kinase AKT | 6.3 | 6.3 | 6.3 | pKi | 1 |
| Homo sapiens | Serine/threonine-protein kinase AKT2 | 5.5 | 5.5 | 5.5 | pKi | 1 |
| Homo sapiens | Serine/threonine-protein kinase c-TAK1 | 6 | 6 | 6 | pKi | 1 |
| Homo sapiens | Serine/threonine-protein kinase MST2 | 6.9 | 6.9 | 6.9 | pKi | 1 |
| Homo sapiens | Serine/threonine-protein kinase PIM1 | 7.3 | 7.3 | 7.3 | pIC50 | 1 |
| Homo sapiens | Serine/threonine-protein kinase PIM1 | 6.8 | 6.8 | 6.8 | pKi | 1 |
| Homo sapiens | Serine/threonine-protein kinase PIM2 | 8.8 | 8.8 | 8.8 | pKi | 1 |
| Homo sapiens | Serine/threonine-protein kinase PIM3 | 6.5 | 6.5 | 6.5 | pKi | 1 |
| Homo sapiens | Serine/threonine-protein kinase PLK1 | 7.2 | 7.2 | 7.2 | pKi | 1 |
| Homo sapiens | Serine/threonine-protein kinase Sgk2 | 6.2 | 6.2 | 6.2 | pKi | 1 |
| Homo sapiens | Serine/threonine-protein kinase TAO1 | 5.9 | 5.9 | 5.9 | pKi | 1 |
| Homo sapiens | Tyrosine-protein kinase ABL | 5.5 | 5.5 | 5.5 | pIC50 | 1 |
| Homo sapiens | Tyrosine-protein kinase FER | 6.5 | 6.5 | 6.5 | pKi | 1 |
| Homo sapiens | Tyrosine-protein kinase FYN | 5.3 | 5.3 | 5.3 | pIC50 | 1 |
| Homo sapiens | Tyrosine-protein kinase JAK1 | 5.1 | 5.1 | 5.1 | pIC50 | 2 |
| Homo sapiens | Tyrosine-protein kinase JAK3 | 5.8 | 5.8 | 5.8 | pIC50 | 2 |
| Homo sapiens | Tyrosine-protein kinase JAK3 | 6.2 | 6.2 | 6.2 | pKi | 2 |
| Homo sapiens | Tyrosine-protein kinase receptor UFO | 5 | 5 | 5 | pIC50 | 1 |
| Homo sapiens | Vascular endothelial growth factor receptor 2 | 5.4 | 5.4 | 5.4 | pIC50 | 1 |
| Homo sapiens | Vascular endothelial growth factor receptor 2 | 6.4 | 6.4 | 6.4 | pKi | 1 |
| Homo sapiens | Vascular endothelial growth factor receptor 3 | 5.3 | 5.3 | 5.3 | pIC50 | 1 |
| Homo sapiens | Vascular endothelial growth factor receptor 3 | 6.5 | 6.5 | 6.5 | pKi | 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 M 343 | 2 V 344 | 3 L 345 | 4 G 346 | 5 K 347 | 6 G 348 | 7 S 349 | 8 F 350 | 9 G 351 | 10 K 352 | 11 V 353 | 12 M 354 | 13 L 355 | 14 Y 365 | 15 A 366 | 16 I 367 | 17 K 368 | 18 I 369 | 19 L 370 | 20 C 383 |
| • | • | •• | • | • | • | ||||||||||||||
| αC | b.l | IV | |||||||||||||||||
| 21 T 384 | 22 M 385 | 23 V 386 | 24 E 387 | 25 K 388 | 26 R 389 | 27 V 390 | 28 L 391 | 29 A 392 | 30 L 393 | 31 L 394 | 32 D 395 | 33 P 398 | 34 F 399 | 35 L 400 | 36 T 401 | 37 Q 402 | 38 L 403 | 39 H 404 | 40 S 405 |
| • | |||||||||||||||||||
| IV | V | GK | hinge | linker | αD | αE | |||||||||||||
| 41 C 406 | 42 Y 414 | 43 F 415 | 44 V 416 | 45 M 417 | 46 E 418 | 47 Y 419 | 48 V 420 | 49 N 421 | 50 G 422 | 51 G 423 | 52 D 424 | 53 L 425 | 54 M 426 | 55 Y 427 | 56 H 428 | 57 I 429 | 58 Q 430 | 59 Q 431 | 60 F 453 |
| • | • | • | •• | ||||||||||||||||
| αE | VI | c.l | VII | VIII | x | ||||||||||||||
| 61 L 454 | 62 H 455 | 63 K 456 | 64 R 457 | 65 G 458 | 66 I 459 | 67 I 460 | 68 Y 461 | 69 R 462 | 70 D 463 | 71 L 464 | 72 K 465 | 73 L 466 | 74 D 467 | 75 N 468 | 76 V 469 | 77 M 470 | 78 L 471 | 79 I 479 | 80 A 480 |
| •• | • | • | • | ||||||||||||||||
| DFG | a.l | ||||||||||||||||||
| 81 D 481 | 82 F 482 | 83 G 483 | 84 M 484 | 85 C 485 | |||||||||||||||
| • | |||||||||||||||||||
Interaction pattern search
Search KLIFS for kinase-ligand complexes with similar interaction patterns:
