PDB-code
| Kinase structure | |
| Kinase: | PASK |
| Family: | CAMKL |
| Group: | CAMK |
| Species: | HUMAN |
| IUPHAR/BPS ID: | 2139 |
| PDB: | 3DLS |
| sc-PDB: | |
| KIDFamMap: | Search |
| Release date: | 2008-08-26 |
| PubMed: | 20943661 |
| Chain: | D |
| Orthosteric ligand: | ADP |
 | |
| More entries for 3DLS | |||
| 3DLS | Chain: | A | |
| 3DLS | Chain: | B | |
| 3DLS | Chain: | C | |
| 3DLS | Chain: | E | |
| 3DLS | Chain: | F | |
| Structural information | |
| DFG conformation: | in |
| αC-helix conformation: | in |
| G-rich loop angle (distance): | 60.1° (18.7Å) |
| G-rich loop rotation: | 44.3° |
| Quality Score: | 8 |
| Resolution: | 2.3 Å |
| Missing Residues: | 0 |
| Missing Atoms: | 0 |
| Ligand binding mode | ||||
| Pockets | Subpockets | Waters | ||
| front | FP-II | Cluster I4 I5 | Ligand No Yes | Protein Yes Yes |
| Pocket alignment | |
| Uniprot sequence: | SPLGSGAFGFVWTVVVKFIKVTLEIAILSRVEANIIKVLDIQLVMEKHGSGLDLFAFIDYLRLKDIIHRDIKDENIVILIDFGSA |
| Sequence structure: | SPLGSGAFGFVWTVVVKFIKVTLEIAILSRVEANIIKVLDIQLVMEKHGSGLDLFAFIDYLRLKDIIHRDIKDENIVILIDFGSA |
| 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 S 1003 | 2 P 1004 | 3 L 1005 | 4 G 1006 | 5 S 1007 | 6 G 1008 | 7 A 1009 | 8 F 1010 | 9 G 1011 | 10 F 1012 | 11 V 1013 | 12 W 1014 | 13 T 1015 | 14 V 1025 | 15 V 1026 | 16 V 1027 | 17 K 1028 | 18 F 1029 | 19 I 1030 | 20 K 1048 |
| • | • | • | • | •• | |||||||||||||||
| αC | b.l | IV | |||||||||||||||||
| 21 V 1049 | 22 T 1050 | 23 L 1051 | 24 E 1052 | 25 I 1053 | 26 A 1054 | 27 I 1055 | 28 L 1056 | 29 S 1057 | 30 R 1058 | 31 V 1059 | 32 E 1060 | 33 A 1062 | 34 N 1063 | 35 I 1064 | 36 I 1065 | 37 K 1066 | 38 V 1067 | 39 L 1068 | 40 D 1069 |
| • | |||||||||||||||||||
| IV | V | GK | hinge | linker | αD | αE | |||||||||||||
| 41 I 1070 | 42 Q 1078 | 43 L 1079 | 44 V 1080 | 45 M 1081 | 46 E 1082 | 47 K 1083 | 48 H 1084 | 49 G 1085 | 50 S 1086 | 51 G 1087 | 52 L 1088 | 53 D 1089 | 54 L 1090 | 55 F 1091 | 56 A 1092 | 57 F 1093 | 58 I 1094 | 59 D 1095 | 60 Y 1118 |
| • | • | •• | • | •• | |||||||||||||||
| αE | VI | c.l | VII | VIII | x | ||||||||||||||
| 61 L 1119 | 62 R 1120 | 63 L 1121 | 64 K 1122 | 65 D 1123 | 66 I 1124 | 67 I 1125 | 68 H 1126 | 69 R 1127 | 70 D 1128 | 71 I 1129 | 72 K 1130 | 73 D 1131 | 74 E 1132 | 75 N 1133 | 76 I 1134 | 77 V 1135 | 78 I 1136 | 79 L 1144 | 80 I 1145 |
| • | • | ||||||||||||||||||
| DFG | a.l | ||||||||||||||||||
| 81 D 1146 | 82 F 1147 | 83 G 1148 | 84 S 1149 | 85 A 1150 | |||||||||||||||
Interaction pattern search
Search KLIFS for kinase-ligand complexes with similar interaction patterns:
