PDB-code
| Kinase structure | |
| Kinase: | CSNK1G1 (CK1g1) |
| Family: | CK1 |
| Group: | CK1 |
| Species: | HUMAN |
| IUPHAR/BPS ID: | 1999 |
| PDB: | 2CMW |
| sc-PDB: | |
| KIDFamMap: | Search |
| Release date: | 2006-06-15 |
| Chain: | A |
| (Alternate) Model: | A |
| Orthosteric ligand: | OLP |
 | |
| More entries for 2CMW | |||||
| 2CMW | Alternative model: | B | Chain: | A | |
| Structural information | |
| DFG conformation: | in |
| αC-helix conformation: | in |
| G-rich loop angle (distance): | 56.5° (17.3Å) |
| G-rich loop rotation: | 68° |
| Quality Score: | 9.6 |
| Resolution: | 1.75 Å |
| Missing Residues: | 0 |
| Missing Atoms: | 4 |
| Ligand binding mode | ||||
| Pockets | Subpockets | Waters | ||
| front | Cluster I1 I2 I5 I11 | Ligand No No No No | Protein Yes Yes Yes Yes | |
| Allosteric Ligand | |||||||||||||||||||
| Allosteric ligand: | OLP | ||||||||||||||||||
 | |||||||||||||||||||
| Pocket alignment | |
| Uniprot sequence: | KKIGCGNFGELRLVAIKLEQLHLEYRFYKQLGEGLPQVYYFAMVLELLG-PSLEDLFDLYVHSKNLIYRDVKPENFLIIIDFGLA |
| Sequence structure: | KKIGCGNFGELRLVAIKLEQLHLEYRFYKQLGEGLPQVYYFAMVLELLG_PSLEDLFDLYVHSKNLIYRDVKPENFLIIIDFGLA |
| Ligand affinity | |
| ChEMBL ID: | CHEMBL311228 |
| Bioaffinities: | 9 records for 5 kinases |
| Species | Kinase (ChEMBL naming) | Median | Min | Max | Type | Records |
|---|---|---|---|---|---|---|
| Saccharomyces cerevisiae S288c | Cell division control protein 28 | 5.2 | 5.2 | 5.2 | pIC50 | 1 |
| Saccharomyces cerevisiae S288c | Cyclin-dependent protein kinase PHO85 | 5.7 | 5.7 | 5.7 | pIC50 | 1 |
| Homo sapiens | Glycogen synthase kinase-3 beta | 7.5 | 7.5 | 7.5 | pIC50 | 1 |
| Homo sapiens | Glycogen synthase kinase-3 beta | 6.9 | 6.9 | 6.9 | pKd | 1 |
| Homo sapiens | Interferon-induced, double-stranded RNA-activated protein kinase | 4.8 | 4.8 | 4.8 | pIC50 | 1 |
| Homo sapiens | Proto-oncogene tyrosine-protein kinase MER | 5 | 5 | 5 | pIC50 | 4 |
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 48 | 2 K 49 | 3 I 50 | 4 G 51 | 5 C 52 | 6 G 53 | 7 N 54 | 8 F 55 | 9 G 56 | 10 E 57 | 11 L 58 | 12 R 59 | 13 L 60 | 14 V 70 | 15 A 71 | 16 I 72 | 17 K 73 | 18 L 74 | 19 E 75 | 20 Q 83 |
| •• | • | • | • | ||||||||||||||||
| αC | b.l | IV | |||||||||||||||||
| 21 L 84 | 22 H 85 | 23 L 86 | 24 E 87 | 25 Y 88 | 26 R 89 | 27 F 90 | 28 Y 91 | 29 K 92 | 30 Q 93 | 31 L 94 | 32 G 95 | 33 E 99 | 34 G 100 | 35 L 101 | 36 P 102 | 37 Q 103 | 38 V 104 | 39 Y 105 | 40 Y 106 |
| • | |||||||||||||||||||
| IV | V | GK | hinge | linker | αD | αE | |||||||||||||
| 41 F 107 | 42 A 115 | 43 M 116 | 44 V 117 | 45 L 118 | 46 E 119 | 47 L 120 | 48 L 121 | 49 G 122 | 50 _ _ | 51 P 123 | 52 S 124 | 53 L 125 | 54 E 126 | 55 D 127 | 56 L 128 | 57 F 129 | 58 D 130 | 59 L 131 | 60 Y 154 |
| • | • | • | ••• | • | • | ||||||||||||||
| αE | VI | c.l | VII | VIII | x | ||||||||||||||
| 61 V 155 | 62 H 156 | 63 S 157 | 64 K 158 | 65 N 159 | 66 L 160 | 67 I 161 | 68 Y 162 | 69 R 163 | 70 D 164 | 71 V 165 | 72 K 166 | 73 P 167 | 74 E 168 | 75 N 169 | 76 F 170 | 77 L 171 | 78 I 172 | 79 I 185 | 80 I 186 |
| • | • | ||||||||||||||||||
| DFG | a.l | ||||||||||||||||||
| 81 D 187 | 82 F 188 | 83 G 189 | 84 L 190 | 85 A 191 | |||||||||||||||
Interaction pattern search
Search KLIFS for kinase-ligand complexes with similar interaction patterns:
