PDB-code
| Kinase structure | |
| Kinase: | CDC7 |
| Family: | CDC7 |
| Group: | Other |
| Species: | HUMAN |
| IUPHAR/BPS ID: | 1960 |
| PDB: | 4F99 |
| sc-PDB: | |
| KIDFamMap: | Search |
| Release date: | 2012-10-31 |
| PubMed: | 23064647 |
| Chain: | A |
| Orthosteric ligand: | ADP |
 | |
| Structural information | |
| DFG conformation: | in |
| αC-helix conformation: | in |
| G-rich loop angle (distance): | 49° (15.2Å) |
| G-rich loop rotation: | 47.4° |
| Quality Score: | 7.4 |
| Resolution: | 2.33 Å |
| Missing Residues: | 0 |
| Missing Atoms: | 0 |
| Ligand binding mode | ||||
| Pockets | Subpockets | |||
| front | FP-II | |||
| Pocket alignment | |
| Uniprot sequence: | DKIGEGTFSSVYLIALKHLRIAAELQCLTVAGDNVMGVKYCVIAMPYLE-HESFLD--IRIHQFGIVHRDVKPSNFLYLVDFGLA |
| Sequence structure: | DKIGEGTFSSVYLIALKHLRIAAELQCLTVAGDNVMGVKYCVIAMPYLE_HESFLD__IRIHQFGIVHRDVKPSNFLYLVDFGLA |
| Ligand affinity | |
| ChEMBL ID: | CHEMBL14830 |
| Bioaffinities: | 2 records for 1 kinase |
| Species | Kinase (ChEMBL naming) | Median | Min | Max | Type | Records |
|---|---|---|---|---|---|---|
| Homo sapiens | Mitogen-activated protein kinase kinase kinase 7 | 4.2 | 4.2 | 5.4 | pKd | 2 |
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 62 | 2 K 63 | 3 I 64 | 4 G 65 | 5 E 66 | 6 G 67 | 7 T 68 | 8 F 69 | 9 S 70 | 10 S 71 | 11 V 72 | 12 Y 73 | 13 L 74 | 14 I 87 | 15 A 88 | 16 L 89 | 17 K 90 | 18 H 91 | 19 L 92 | 20 R 100 |
| • | • | • | • | • | •• | ||||||||||||||
| αC | b.l | IV | |||||||||||||||||
| 21 I 101 | 22 A 102 | 23 A 103 | 24 E 104 | 25 L 105 | 26 Q 106 | 27 C 107 | 28 L 108 | 29 T 109 | 30 V 110 | 31 A 111 | 32 G 112 | 33 D 115 | 34 N 116 | 35 V 117 | 36 M 118 | 37 G 119 | 38 V 120 | 39 K 121 | 40 Y 122 |
| • | |||||||||||||||||||
| IV | V | GK | hinge | linker | αD | αE | |||||||||||||
| 41 C 123 | 42 V 131 | 43 I 132 | 44 A 133 | 45 M 134 | 46 P 135 | 47 Y 136 | 48 L 137 | 49 E 138 | 50 _ _ | 51 H 139 | 52 E 140 | 53 S 141 | 54 F 142 | 55 L 143 | 56 D 144 | 57 _ _ | 58 _ _ | 59 I 145 | 60 R 167 |
| • | •• | •• | ••• | ||||||||||||||||
| αE | VI | c.l | VII | VIII | x | ||||||||||||||
| 61 I 168 | 62 H 169 | 63 Q 170 | 64 F 171 | 65 G 172 | 66 I 173 | 67 V 174 | 68 H 175 | 69 R 176 | 70 D 177 | 71 V 178 | 72 K 179 | 73 P 180 | 74 S 181 | 75 N 182 | 76 F 183 | 77 L 184 | 78 Y 185 | 79 L 194 | 80 V 195 |
| • | • | ||||||||||||||||||
| DFG | a.l | ||||||||||||||||||
| 81 D 196 | 82 F 197 | 83 G 198 | 84 L 199 | 85 A 200 | |||||||||||||||
Interaction pattern search
Search KLIFS for kinase-ligand complexes with similar interaction patterns:
