PDB-code
| Kinase structure | |
| Kinase: | CDK7 |
| Family: | CDK |
| Group: | CMGC |
| Species: | HUMAN |
| IUPHAR/BPS ID: | 1979 |
| PDB: | 7B5O |
| sc-PDB: | |
| KIDFamMap: | Search |
| Release date: | 2021-02-10 |
| PubMed: | 33476598 |
| Chain: | J |
| (Alternate) Model: | A |
| Orthosteric ligand: | I74 |
 | |
| More entries for 7B5O | |||||
| 7B5O | Alternative model: | B | Chain: | J | |
| Structural information | |
| DFG conformation: | in |
| αC-helix conformation: | in |
| G-rich loop angle (distance): | 58.2° (17Å) |
| G-rich loop rotation: | 46.5° |
| Quality Score: | 8 |
| Resolution: | 2.5 Å |
| Missing Residues: | 0 |
| Missing Atoms: | 0 |
| Ligand binding mode | ||||
| Pockets | Subpockets | Waters | ||
| front | Cluster I2 I5 | Ligand Yes No | Protein Yes Yes | |
| Pocket alignment | |
| Uniprot sequence: | DFLGEGQFATVYKVAIKKITALREIKLLQELSPNIIGLLDASLVFDFME-TDLEVIIKDYLHQHWILHRDLKPNNLLLLADFGLA |
| Sequence structure: | DFLGEGQFATVYKVAIKKITALREIKLLQELSPNIIGLLDASLVFDFME_TDLEVIIKDYLHQHWILHRDLKPNNLLLLADFGLA |
| Ligand affinity | |
| ChEMBL ID: | CHEMBL4297488 |
| Bioaffinities: | No (p)Ki/(p)IC50/(p)EC50 values for kinases found (confidence ≥ 8). |
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 D 16 | 2 F 17 | 3 L 18 | 4 G 19 | 5 E 20 | 6 G 21 | 7 Q 22 | 8 F 23 | 9 A 24 | 10 T 25 | 11 V 26 | 12 Y 27 | 13 K 28 | 14 V 38 | 15 A 39 | 16 I 40 | 17 K 41 | 18 K 42 | 19 I 43 | 20 T 58 |
| • | • | • | • | ||||||||||||||||
| αC | b.l | IV | |||||||||||||||||
| 21 A 59 | 22 L 60 | 23 R 61 | 24 E 62 | 25 I 63 | 26 K 64 | 27 L 65 | 28 L 66 | 29 Q 67 | 30 E 68 | 31 L 69 | 32 S 70 | 33 P 72 | 34 N 73 | 35 I 74 | 36 I 75 | 37 G 76 | 38 L 77 | 39 L 78 | 40 D 79 |
| • | |||||||||||||||||||
| IV | V | GK | hinge | linker | αD | αE | |||||||||||||
| 41 A 80 | 42 S 88 | 43 L 89 | 44 V 90 | 45 F 91 | 46 D 92 | 47 F 93 | 48 M 94 | 49 E 95 | 50 _ _ | 51 T 96 | 52 D 97 | 53 L 98 | 54 E 99 | 55 V 100 | 56 I 101 | 57 I 102 | 58 K 103 | 59 D 104 | 60 Y 127 |
| • | • | • | ••• | • | • | • | • | ||||||||||||
| αE | VI | c.l | VII | VIII | x | ||||||||||||||
| 61 L 128 | 62 H 129 | 63 Q 130 | 64 H 131 | 65 W 132 | 66 I 133 | 67 L 134 | 68 H 135 | 69 R 136 | 70 D 137 | 71 L 138 | 72 K 139 | 73 P 140 | 74 N 141 | 75 N 142 | 76 L 143 | 77 L 144 | 78 L 145 | 79 L 153 | 80 A 154 |
| • | • | • | • | ||||||||||||||||
| DFG | a.l | ||||||||||||||||||
| 81 D 155 | 82 F 156 | 83 G 157 | 84 L 158 | 85 A 159 | |||||||||||||||
Interaction pattern search
Search KLIFS for kinase-ligand complexes with similar interaction patterns:
