PDB-code
| Kinase structure | |
| Kinase: | RPS6KA1 (RSK3) |
| Family: | RSK |
| Group: | AGC |
| Species: | HUMAN |
| IUPHAR/BPS ID: | 1527 |
| PDB: | 2Z7S |
| sc-PDB: | |
| KIDFamMap: | Search |
| Release date: | 2008-05-13 |
| PubMed: | 17965187 |
| Chain: | A |
| Orthosteric ligand: | P01 |
 | |
| Structural information | |
| DFG conformation: | in |
| αC-helix conformation: | na |
| G-rich loop angle (distance): | 56.5° (16.4Å) |
| G-rich loop rotation: | 35.1° |
| Quality Score: | 4.8 |
| Resolution: | 2.1 Å |
| Missing Residues: | 7 |
| Missing Atoms: | 0 |
| Ligand binding mode | ||||
| Pockets | Subpockets | Waters | ||
| front | Cluster I1 I4 | Ligand No No | Protein Yes No | |
| Pocket alignment | |
| Uniprot sequence: | KVLGQGSFGKVFLYAMKVLRTKMERDILADVNPFVVKLHYAYLILDFLRGGDLFTRLSKHLHSLGIIYRDLKPENILLLTDFGLS |
| Sequence structure: | KVLGQGSFGKVFLYAMKVL_______ILADVNPFVVKLHYAYLILDFLRGGDLFTRLSKHLHSLGIIYRDLKPENILLLTDFGLS |
| Ligand affinity | |
| ChEMBL ID: | CHEMBL23327 |
| Bioaffinities: | 16 records for 9 kinases |
| Species | Kinase (ChEMBL naming) | Median | Min | Max | Type | Records |
|---|---|---|---|---|---|---|
| Saccharomyces cerevisiae S288c | Cell division control protein 28 | 7.1 | 7.1 | 7.1 | pIC50 | 1 |
| Homo sapiens | Cyclin-dependent kinase 1 | 4.5 | 4.5 | 7.3 | pIC50 | 3 |
| Homo sapiens | Cyclin-dependent kinase 2 | 7.2 | 7.2 | 8.4 | pIC50 | 5 |
| Homo sapiens | Dual-specificity tyrosine-phosphorylation regulated kinase 1A | 6.5 | 6.5 | 6.5 | pIC50 | 1 |
| Homo sapiens | Insulin receptor | 5.3 | 5.3 | 5.3 | pIC50 | 1 |
| Homo sapiens | MAP kinase ERK1 | 5.1 | 5.1 | 5.1 | pIC50 | 2 |
| Plasmodium falciparum | Protein kinase Pfmrk | 4.6 | 4.6 | 4.6 | pIC50 | 1 |
| Homo sapiens | Serine/threonine-protein kinase PAK 4 | 6.9 | 6.9 | 6.9 | pIC50 | 1 |
| Homo sapiens | Tyrosine-protein kinase SRC | 6.6 | 6.6 | 6.6 | pIC50 | 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 K | 2 V | 3 L | 4 G | 5 Q | 6 G | 7 S | 8 F | 9 G | 10 K | 11 V | 12 F | 13 L | 14 Y | 15 A | 16 M | 17 K | 18 V | 19 L | 20 _ |
| • | • | • | • | ||||||||||||||||
| αC | b.l | IV | |||||||||||||||||
| 21 _ | 22 _ | 23 _ | 24 _ | 25 _ | 26 _ | 27 I | 28 L | 29 A | 30 D | 31 V | 32 N | 33 P | 34 F | 35 V | 36 V | 37 K | 38 L | 39 H | 40 Y |
| • | |||||||||||||||||||
| IV | V | GK | hinge | linker | αD | αE | |||||||||||||
| 41 A | 42 Y | 43 L | 44 I | 45 L | 46 D | 47 F | 48 L | 49 R | 50 G | 51 G | 52 D | 53 L | 54 F | 55 T | 56 R | 57 L | 58 S | 59 K | 60 H |
| • | • | •• | ••• | • | • | • | |||||||||||||
| αE | VI | c.l | VII | VIII | x | ||||||||||||||
| 61 L | 62 H | 63 S | 64 L | 65 G | 66 I | 67 I | 68 Y | 69 R | 70 D | 71 L | 72 K | 73 P | 74 E | 75 N | 76 I | 77 L | 78 L | 79 L | 80 T |
| • | • | ||||||||||||||||||
| DFG | a.l | ||||||||||||||||||
| 81 D | 82 F | 83 G | 84 L | 85 S | |||||||||||||||
Interaction pattern search
Search KLIFS for kinase-ligand complexes with similar interaction patterns:
