PDB-code
| Kinase structure | |
| Kinase: | CSNK1G2 (CK1g2) |
| Family: | CK1 |
| Group: | CK1 |
| Species: | HUMAN |
| IUPHAR/BPS ID: | 2000 |
| PDB: | 2C47 |
| sc-PDB: | |
| KIDFamMap: | Search |
| Release date: | 2005-11-07 |
| Chain: | A |
| (Alternate) Model: | A |
| Orthosteric ligand: | 5ID |
 | |
| More entries for 2C47 | |||||
| 2C47 | Alternative model: | A | Chain: | B | |
| 2C47 | Alternative model: | A | Chain: | C | |
| 2C47 | Alternative model: | A | Chain: | D | |
| 2C47 | Alternative model: | B | Chain: | A | |
| 2C47 | Alternative model: | B | Chain: | B | |
| 2C47 | Alternative model: | B | Chain: | C | |
| 2C47 | Alternative model: | B | Chain: | D | |
| Structural information | |
| DFG conformation: | in |
| αC-helix conformation: | in |
| G-rich loop angle (distance): | - |
| G-rich loop rotation: | - |
| Quality Score: | 6.7 |
| Resolution: | 2.4 Å |
| Missing Residues: | 6 |
| Missing Atoms: | 9 |
| Ligand binding mode | ||||
| Pockets | Subpockets | Waters | ||
| front | Cluster I5 | Ligand No | Protein Yes | |
| Pocket alignment | |
| Uniprot sequence: | KKIGCGNFGELRLVAIKLEQLHLEYRFYKQLSEGVPQVYYFAMVLELLG-PSLEDLFDLYVHTKSLIYRDVKPENFLVIIDFGLA |
| Sequence structure: | KKI______ELRLVAIKLEQLHLEYRFYKQLSEGVPQVYYFAMVLELLG_PSLEDLFDLYVHTKSLIYRDVKPENFLVIIDFGLA |
| Ligand affinity | |
| ChEMBL ID: | CHEMBL99203 |
| Bioaffinities: | 2 records for 1 kinase |
| Species | Kinase (ChEMBL naming) | Median | Min | Max | Type | Records |
|---|---|---|---|---|---|---|
| Homo sapiens | MAP kinase ERK2 | 5.9 | 5.9 | 5.9 | pIC50 | 1 |
| Homo sapiens | MAP kinase ERK2 | 6.3 | 6.3 | 6.3 | 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 K 50 | 2 K 51 | 3 I 52 | 4 _ _ | 5 _ _ | 6 _ _ | 7 _ _ | 8 _ _ | 9 _ _ | 10 E 59 | 11 L 60 | 12 R 61 | 13 L 62 | 14 V 72 | 15 A 73 | 16 I 74 | 17 K 75 | 18 L 76 | 19 E 77 | 20 Q 85 |
| • | • | ||||||||||||||||||
| αC | b.l | IV | |||||||||||||||||
| 21 L 86 | 22 H 87 | 23 L 88 | 24 E 89 | 25 Y 90 | 26 R 91 | 27 F 92 | 28 Y 93 | 29 K 94 | 30 Q 95 | 31 L 96 | 32 S 97 | 33 E 100 | 34 G 101 | 35 V 102 | 36 P 103 | 37 Q 104 | 38 V 105 | 39 Y 106 | 40 Y 107 |
| IV | V | GK | hinge | linker | αD | αE | |||||||||||||
| 41 F 108 | 42 A 116 | 43 M 117 | 44 V 118 | 45 L 119 | 46 E 120 | 47 L 121 | 48 L 122 | 49 G 123 | 50 _ _ | 51 P 124 | 52 S 125 | 53 L 126 | 54 E 127 | 55 D 128 | 56 L 129 | 57 F 130 | 58 D 131 | 59 L 132 | 60 Y 155 |
| • | • | • | •• | ||||||||||||||||
| αE | VI | c.l | VII | VIII | x | ||||||||||||||
| 61 V 156 | 62 H 157 | 63 T 158 | 64 K 159 | 65 S 160 | 66 L 161 | 67 I 162 | 68 Y 163 | 69 R 164 | 70 D 165 | 71 V 166 | 72 K 167 | 73 P 168 | 74 E 169 | 75 N 170 | 76 F 171 | 77 L 172 | 78 V 173 | 79 I 186 | 80 I 187 |
| • | • | • | |||||||||||||||||
| DFG | a.l | ||||||||||||||||||
| 81 D 188 | 82 F 189 | 83 G 190 | 84 L 191 | 85 A 192 | |||||||||||||||
Interaction pattern search
Search KLIFS for kinase-ligand complexes with similar interaction patterns:
