PDB-code
| Kinase structure | |
| Kinase: | NEK7 |
| Family: | NEK |
| Group: | Other |
| Species: | HUMAN |
| IUPHAR/BPS ID: | 2122 |
| PDB: | 2WQN |
| sc-PDB: | |
| KIDFamMap: | Search |
| Release date: | 2009-12-08 |
| PubMed: | 19941817 |
| Chain: | A |
| (Alternate) Model: | A |
| Orthosteric ligand: | ADP |
 | |
| More entries for 2WQN | |||||
| 2WQN | Alternative model: | B | Chain: | A | |
| Structural information | |
| DFG conformation: | in |
| αC-helix conformation: | out |
| G-rich loop angle (distance): | 63° (17.8Å) |
| G-rich loop rotation: | 38.7° |
| Quality Score: | 6.8 |
| Resolution: | 2.3 Å |
| Missing Residues: | 3 |
| Missing Atoms: | 20 |
| Ligand binding mode | ||||
| Pockets | Subpockets | Waters | ||
| front | FP-II | Cluster I2 | Ligand No | Protein No |
| Pocket alignment | |
| Uniprot sequence: | KKIGRGQFSEVYRVALKKVDCIKEIDLLKQLNPNVIKYYASNIVLELADAGDLSRMIKHHMHSRRVMHRDIKPANVFILGDLGLG |
| Sequence structure: | KKIGRGQFSEVYRVALKKVDCIKEIDLLKQLNPNVIKYYASNIVLELADAGDLSRMIKHHMHSRRVMHRDIKPANVFILGDL___ |
| 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 K 38 | 2 K 39 | 3 I 40 | 4 G 41 | 5 R 42 | 6 G 43 | 7 Q 44 | 8 F 45 | 9 S 46 | 10 E 47 | 11 V 48 | 12 Y 49 | 13 R 50 | 14 V 60 | 15 A 61 | 16 L 62 | 17 K 63 | 18 K 64 | 19 V 65 | 20 D 78 |
| • | • | • | • | • | • | • | • | ••• | |||||||||||
| αC | b.l | IV | |||||||||||||||||
| 21 C 79 | 22 I 80 | 23 K 81 | 24 E 82 | 25 I 83 | 26 D 84 | 27 L 85 | 28 L 86 | 29 K 87 | 30 Q 88 | 31 L 89 | 32 N 90 | 33 P 92 | 34 N 93 | 35 V 94 | 36 I 95 | 37 K 96 | 38 Y 97 | 39 Y 98 | 40 A 99 |
| IV | V | GK | hinge | linker | αD | αE | |||||||||||||
| 41 S 100 | 42 N 108 | 43 I 109 | 44 V 110 | 45 L 111 | 46 E 112 | 47 L 113 | 48 A 114 | 49 D 115 | 50 A 116 | 51 G 117 | 52 D 118 | 53 L 119 | 54 S 120 | 55 R 121 | 56 M 122 | 57 I 123 | 58 K 124 | 59 H 125 | 60 H 151 |
| • | • | •• | |||||||||||||||||
| αE | VI | c.l | VII | VIII | x | ||||||||||||||
| 61 M 152 | 62 H 153 | 63 S 154 | 64 R 155 | 65 R 156 | 66 V 157 | 67 M 158 | 68 H 159 | 69 R 160 | 70 D 161 | 71 I 162 | 72 K 163 | 73 P 164 | 74 A 165 | 75 N 166 | 76 V 167 | 77 F 168 | 78 I 169 | 79 L 177 | 80 G 178 |
| • | |||||||||||||||||||
| DFG | a.l | ||||||||||||||||||
| 81 D 179 | 82 L 180 | 83 _ _ | 84 _ _ | 85 _ _ | |||||||||||||||
| • | |||||||||||||||||||
Interaction pattern search
Search KLIFS for kinase-ligand complexes with similar interaction patterns:
