PDB-code
| Kinase structure | |
| Kinase: | CHUK (IKKa) |
| Family: | IKK |
| Group: | Other |
| Species: | HUMAN |
| IUPHAR/BPS ID: | 1989 |
| PDB: | 5EBZ |
| sc-PDB: | |
| KIDFamMap: | Search |
| Release date: | 2016-11-02 |
| PubMed: | 27851956 |
| Chain: | A |
| Orthosteric ligand: | 5TL |
 | |
| More entries for 5EBZ | |||
| 5EBZ | Chain: | B | |
| 5EBZ | Chain: | C | |
| 5EBZ | Chain: | D | |
| 5EBZ | Chain: | E | |
| 5EBZ | Chain: | F | |
| 5EBZ | Chain: | G | |
| 5EBZ | Chain: | H | |
| 5EBZ | Chain: | I | |
| 5EBZ | Chain: | J | |
| 5EBZ | Chain: | K | |
| 5EBZ | Chain: | L | |
| Structural information | |
| DFG conformation: | in |
| αC-helix conformation: | in |
| G-rich loop angle (distance): | 56.9° (16.6Å) |
| G-rich loop rotation: | 118° |
| Quality Score: | 8 |
| Resolution: | 4.5 Å |
| Missing Residues: | 0 |
| Missing Atoms: | 0 |
| Ligand binding mode | ||||
| Pockets | Subpockets | |||
| front | ||||
| Allosteric Ligand | |||||||||||||||||||
| Allosteric ligand: | 5LS | ||||||||||||||||||
 | |||||||||||||||||||
| Pocket alignment | |
| Uniprot sequence: | ERLGTGGFGNVCLIAIKSCRWCHEIQIMKKLNANVVKACDVLLAMEYCSGGDLRKLLNKYLHENKIIHRDLKPENIVLIIDLGYA |
| Sequence structure: | ERLGTGGFGNVCLIAIKSCRWCHEIQIMKKLNANVVKACDVLLAMEYCSGGDLRKLLNKYLHENKIIHRDLKPENIVLIIDLGYA |
| Ligand affinity | |
| ChEMBL ID: | CHEMBL397008 |
| Bioaffinities: | 2 records for 2 kinases |
| Species | Kinase (ChEMBL naming) | Median | Min | Max | Type | Records |
|---|---|---|---|---|---|---|
| Homo sapiens | Inhibitor of nuclear factor kappa B kinase alpha subunit | 6 | 6 | 6 | pIC50 | 1 |
| Homo sapiens | Inhibitor of nuclear factor kappa B kinase beta subunit | 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 E 19 | 2 R 20 | 3 L 21 | 4 G 22 | 5 T 23 | 6 G 24 | 7 G 25 | 8 F 26 | 9 G 27 | 10 N 28 | 11 V 29 | 12 C 30 | 13 L 31 | 14 I 41 | 15 A 42 | 16 I 43 | 17 K 44 | 18 S 45 | 19 C 46 | 20 R 57 |
| • | • | • | • | ||||||||||||||||
| αC | b.l | IV | |||||||||||||||||
| 21 W 58 | 22 C 59 | 23 H 60 | 24 E 61 | 25 I 62 | 26 Q 63 | 27 I 64 | 28 M 65 | 29 K 66 | 30 K 67 | 31 L 68 | 32 N 69 | 33 A 71 | 34 N 72 | 35 V 73 | 36 V 74 | 37 K 75 | 38 A 76 | 39 C 77 | 40 D 78 |
| IV | V | GK | hinge | linker | αD | αE | |||||||||||||
| 41 V 79 | 42 L 92 | 43 L 93 | 44 A 94 | 45 M 95 | 46 E 96 | 47 Y 97 | 48 C 98 | 49 S 99 | 50 G 100 | 51 G 101 | 52 D 102 | 53 L 103 | 54 R 104 | 55 K 105 | 56 L 106 | 57 L 107 | 58 N 108 | 59 K 109 | 60 Y 134 |
| • | •• | • | • | • | •• | ||||||||||||||
| αE | VI | c.l | VII | VIII | x | ||||||||||||||
| 61 L 135 | 62 H 136 | 63 E 137 | 64 N 138 | 65 K 139 | 66 I 140 | 67 I 141 | 68 H 142 | 69 R 143 | 70 D 144 | 71 L 145 | 72 K 146 | 73 P 147 | 74 E 148 | 75 N 149 | 76 I 150 | 77 V 151 | 78 L 152 | 79 I 163 | 80 I 164 |
| • | • | ||||||||||||||||||
| DFG | a.l | ||||||||||||||||||
| 81 D 165 | 82 L 166 | 83 G 167 | 84 Y 168 | 85 A 169 | |||||||||||||||
| • | |||||||||||||||||||
Interaction pattern search
Search KLIFS for kinase-ligand complexes with similar interaction patterns:
