PDB-code
| Kinase structure | |
| Kinase: | CDC7 |
| Family: | CDC7 |
| Group: | Other |
| Species: | HUMAN |
| IUPHAR/BPS ID: | 1960 |
| PDB: | 4F9A |
| sc-PDB: | |
| KIDFamMap: | Search |
| Release date: | 2012-10-31 |
| PubMed: | 23064647 |
| Chain: | C |
| Orthosteric ligand: | ADP |
 | |
| More entries for 4F9A | |||
| 4F9A | Chain: | A | |
| Structural information | |
| DFG conformation: | na |
| αC-helix conformation: | in |
| G-rich loop angle (distance): | 48.5° (15.1Å) |
| G-rich loop rotation: | 48° |
| Quality Score: | 7.4 |
| Resolution: | 2.17 Å |
| Missing Residues: | 0 |
| Missing Atoms: | 0 |
| Ligand binding mode | ||||
| Pockets | Subpockets | Waters | ||
| front | FP-II | Cluster I5 I11 | Ligand Yes Yes | Protein No No |
| 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 | 2 K | 3 I | 4 G | 5 E | 6 G | 7 T | 8 F | 9 S | 10 S | 11 V | 12 Y | 13 L | 14 I | 15 A | 16 L | 17 K | 18 H | 19 L | 20 R |
| • | • | • | • | • | •• | ||||||||||||||
| αC | b.l | IV | |||||||||||||||||
| 21 I | 22 A | 23 A | 24 E | 25 L | 26 Q | 27 C | 28 L | 29 T | 30 V | 31 A | 32 G | 33 D | 34 N | 35 V | 36 M | 37 G | 38 V | 39 K | 40 Y |
| • | |||||||||||||||||||
| IV | V | GK | hinge | linker | αD | αE | |||||||||||||
| 41 C | 42 V | 43 I | 44 A | 45 M | 46 P | 47 Y | 48 L | 49 E | 50 _ | 51 H | 52 E | 53 S | 54 F | 55 L | 56 D | 57 _ | 58 _ | 59 I | 60 R |
| • | • | •• | •• | ••• | |||||||||||||||
| αE | VI | c.l | VII | VIII | x | ||||||||||||||
| 61 I | 62 H | 63 Q | 64 F | 65 G | 66 I | 67 V | 68 H | 69 R | 70 D | 71 V | 72 K | 73 P | 74 S | 75 N | 76 F | 77 L | 78 Y | 79 L | 80 V |
| • | • | ||||||||||||||||||
| DFG | a.l | ||||||||||||||||||
| 81 D | 82 F | 83 G | 84 L | 85 A | |||||||||||||||
Interaction pattern search
Search KLIFS for kinase-ligand complexes with similar interaction patterns:
