 
		
	                PDB-code
	                
	                        
	                
	        
		| More entries for 1UU3 | |||||
| 1UU3 | Alternative model: | B | Chain: | A | |
| Structural information | |
| DFG conformation: | in | 
| αC-helix conformation: | in | 
| G-rich loop angle (distance): | 59.3° (17.3Å) | 
| G-rich loop rotation: | 48.6° | 
| Quality Score: | 8 | 
| Resolution: | 1.7 Å | 
| Missing Residues: | 0 | 
| Missing Atoms: | 0 | 
| Ligand binding mode | ||||
| Pockets | Subpockets | Waters | ||
| front | Cluster I1 I4 | Ligand No No | Protein Yes Yes | |
| Pocket alignment | |
| Uniprot sequence: | KILGEGSFSTVVLYAIKILYVTRERDVMSRLDPFFVKLYFTYFGLSYAKNGELLKYIRKYLHGKGIIHRDLKPENILLITDFGTA | 
| Sequence structure: | KILGEGSFSTVVLYAIKILYVTRERDVMSRLDPFFVKLYFTYFGLSYAKNGELLKYIRKYLHGKGIIHRDLKPENILLITDFGTA | 
| Ligand affinity | |
| ChEMBL ID: | CHEMBL91829 | 
| Bioaffinities: | 252 records for 117 kinases | 
| Species | Kinase (ChEMBL naming) | Median | Min | Max | Type | Records | 
|---|---|---|---|---|---|---|
| Homo sapiens | 3-phosphoinositide dependent protein kinase-1 | 6.1 | 6.1 | 6.1 | pIC50 | 1 | 
| Homo sapiens | 3-phosphoinositide dependent protein kinase-1 | 6.2 | 6.2 | 6.2 | pKd | 2 | 
| Homo sapiens | Adaptor-associated kinase | 6.1 | 6 | 6.1 | pKd | 3 | 
| Homo sapiens | BMP-2-inducible protein kinase | 6.4 | 5.6 | 6.4 | pKd | 3 | 
| Homo sapiens | CaM kinase I delta | 5.4 | 5.4 | 5.6 | pKd | 2 | 
| Homo sapiens | CaM kinase II alpha | 5.4 | 5 | 5.4 | pKd | 3 | 
| Homo sapiens | CaM kinase II delta | 5.3 | 5.3 | 5.3 | pKd | 2 | 
| Homo sapiens | CaM kinase II gamma | 5.1 | 5.1 | 5.1 | pKd | 2 | 
| Homo sapiens | CaM-kinase kinase alpha | 5.3 | 5.3 | 5.8 | pKd | 3 | 
| Homo sapiens | CaM-kinase kinase beta | 5.6 | 5.6 | 6 | pKd | 3 | 
| Homo sapiens | cAMP-dependent protein kinase alpha-catalytic subunit | 5.3 | 5.3 | 5.3 | pKd | 2 | 
| Homo sapiens | cAMP-dependent protein kinase beta-1 catalytic subunit | 5.5 | 5.5 | 5.5 | pKd | 2 | 
| Homo sapiens | Casein kinase II alpha | 5.4 | 5.4 | 5.4 | pKd | 1 | 
| Homo sapiens | Casein kinase II alpha (prime) | 5.2 | 5.2 | 5.5 | pKd | 2 | 
| Homo sapiens | cGMP-dependent protein kinase 2 | 5.5 | 5.5 | 5.5 | pKd | 2 | 
| Homo sapiens | Citron Rho-interacting kinase | 5.9 | 5.9 | 5.9 | pKd | 2 | 
| Homo sapiens | Cyclin-dependent kinase 4 | 6.6 | 6.6 | 6.6 | pKd | 2 | 
| Homo sapiens | Cyclin-dependent kinase 7 | 5.8 | 5.8 | 5.8 | pKd | 1 | 
| Homo sapiens | Cyclin-dependent kinase-like 5 | 5.4 | 5.4 | 5.4 | pKd | 1 | 
| Homo sapiens | Death-associated protein kinase 1 | 6 | 6 | 6 | pKd | 2 | 
| Homo sapiens | Death-associated protein kinase 2 | 5.6 | 5.6 | 5.6 | pKd | 1 | 
| Homo sapiens | Death-associated protein kinase 3 | 5.1 | 5.1 | 5.9 | pKd | 2 | 
| Homo sapiens | Dual specificity mitogen-activated protein kinase kinase 4 | 6 | 6 | 6 | pKd | 2 | 
| Homo sapiens | Dual specificity mitogen-activated protein kinase kinase 5 | 6 | 6 | 6 | pKd | 1 | 
| Homo sapiens | Dual specificity mitogen-activated protein kinase kinase 6 | 5.4 | 5.4 | 5.4 | pKd | 1 | 
| Homo sapiens | Dual specificity protein kinase CLK2 | 6.4 | 6.4 | 6.4 | pKd | 2 | 
| Homo sapiens | Dual specificity protein kinase CLK4 | 5.7 | 5.1 | 5.7 | pKd | 3 | 
| Homo sapiens | Dual-specificity tyrosine-phosphorylation regulated kinase 1A | 6.6 | 6.6 | 6.6 | pKd | 1 | 
| Homo sapiens | Dual specificity tyrosine-phosphorylation-regulated kinase 1B | 5.3 | 5.3 | 5.3 | pKd | 2 | 
| Homo sapiens | Dual specificty protein kinase CLK1 | 6 | 6 | 6 | pKd | 2 | 
| Homo sapiens | Epidermal growth factor receptor erbB1 | 5.1 | 5.1 | 5.3 | pKd | 2 | 
| Homo sapiens | Fibroblast growth factor receptor 1 | 5.3 | 5.3 | 5.3 | pKd | 1 | 
| Homo sapiens | Glycogen synthase kinase-3 beta | 5.6 | 5.6 | 5.6 | pKd | 2 | 
| Homo sapiens | G protein-coupled receptor kinase 4 | 6.2 | 6.2 | 6.2 | pKd | 1 | 
| Homo sapiens | G protein-coupled receptor kinase 7 | 6.5 | 6.5 | 6.5 | pKd | 1 | 
| Homo sapiens | Homeodomain-interacting protein kinase 1 | 6.6 | 6.6 | 6.6 | pKd | 1 | 
| Homo sapiens | Homeodomain-interacting protein kinase 2 | 6.9 | 6.9 | 6.9 | pKd | 1 | 
| Homo sapiens | Homeodomain-interacting protein kinase 3 | 7.1 | 7.1 | 7.1 | pKd | 1 | 
| Homo sapiens | Leucine-rich repeat serine/threonine-protein kinase 2 | 5 | 5 | 5 | pKd | 1 | 
| Homo sapiens | MAP kinase-interacting serine/threonine-protein kinase MNK1 | 5.2 | 5.2 | 5.2 | pKd | 1 | 
| Homo sapiens | MAP/microtubule affinity-regulating kinase 2 | 5.6 | 5.6 | 5.6 | pKd | 1 | 
| Homo sapiens | Misshapen-like kinase 1 | 6.5 | 6.5 | 6.5 | pKd | 1 | 
| Homo sapiens | Mitogen-activated protein kinase 15 | 7.1 | 7.1 | 7.1 | pKd | 2 | 
| Homo sapiens | Mitogen-activated protein kinase kinase kinase 2 | 6.2 | 6.2 | 6.2 | pKd | 1 | 
| Homo sapiens | Mitogen-activated protein kinase kinase kinase 3 | 6.8 | 6.8 | 6.8 | pKd | 1 | 
| Homo sapiens | Mitogen-activated protein kinase kinase kinase 9 | 5.9 | 5.9 | 5.9 | pKd | 2 | 
| Homo sapiens | Mitogen-activated protein kinase kinase kinase kinase 1 | 5.6 | 5.6 | 5.6 | pKd | 2 | 
| Homo sapiens | Mitogen-activated protein kinase kinase kinase kinase 2 | 6.5 | 6.5 | 6.5 | pKd | 1 | 
| Homo sapiens | Mitogen-activated protein kinase kinase kinase kinase 3 | 5.1 | 5.1 | 5.1 | pKd | 2 | 
| Homo sapiens | Mitogen-activated protein kinase kinase kinase kinase 5 | 5.1 | 5.1 | 5.1 | pKd | 1 | 
| Homo sapiens | Myosin light chain kinase, smooth muscle | 6.5 | 6.5 | 6.5 | pKd | 2 | 
| Homo sapiens | Myotonin-protein kinase | 6.6 | 6.6 | 6.6 | pKd | 2 | 
| Homo sapiens | NUAK family SNF1-like kinase 1 | 5.8 | 5.8 | 5.8 | pKd | 2 | 
| Homo sapiens | NUAK family SNF1-like kinase 2 | 6.5 | 6.5 | 6.5 | pKd | 2 | 
| Homo sapiens | Phosphatidylinositol-4-phosphate 5-kinase type-1 alpha | 6.2 | 6.2 | 6.2 | pKd | 2 | 
| Homo sapiens | Phosphatidylinositol-5-phosphate 4-kinase type-2 beta | 6.1 | 6.1 | 6.1 | pKd | 2 | 
| Homo sapiens | Phosphorylase kinase gamma subunit 1 | 5.4 | 5.4 | 5.6 | pKd | 3 | 
| Homo sapiens | Platelet-derived growth factor receptor beta | 5.2 | 5.2 | 5.2 | pKd | 1 | 
| Homo sapiens | Protein kinase C alpha | 6.4 | 6.4 | 6.4 | pIC50 | 3 | 
| Homo sapiens | Protein kinase C beta | 8.2 | 8.2 | 8.3 | pIC50 | 7 | 
| Homo sapiens | Protein kinase C delta | 6.6 | 6.6 | 6.6 | pIC50 | 1 | 
| Homo sapiens | Protein kinase C delta | 8.4 | 8.4 | 8.4 | pKd | 2 | 
| Homo sapiens | Protein kinase C epsilon | 6.2 | 6.2 | 6.2 | pIC50 | 2 | 
| Homo sapiens | Protein kinase C epsilon | 8 | 8 | 8 | pKd | 2 | 
| Homo sapiens | Protein kinase C eta | 7.3 | 7.3 | 7.3 | pIC50 | 1 | 
| Homo sapiens | Protein kinase C eta | 5.8 | 5.8 | 5.8 | pKd | 2 | 
| Homo sapiens | Protein kinase C gamma | 6.5 | 6.5 | 6.5 | pIC50 | 3 | 
| Homo sapiens | Protein kinase C iota | 5.9 | 5.9 | 5.9 | pKd | 1 | 
| Homo sapiens | Protein kinase C theta | 8.6 | 8.6 | 8.6 | pKd | 2 | 
| Homo sapiens | Protein kinase N1 | 6.5 | 6.5 | 6.5 | pKd | 2 | 
| Homo sapiens | Protein kinase N2 | 5.8 | 5.8 | 5.8 | pKd | 2 | 
| Homo sapiens | Proto-oncogene tyrosine-protein kinase ROS | 5.2 | 5.2 | 5.2 | pKd | 1 | 
| Homo sapiens | Rhodopsin kinase | 6.1 | 6.1 | 6.1 | pKd | 1 | 
| Homo sapiens | Ribosomal protein S6 kinase 1 | 6.7 | 6.7 | 6.7 | pKd | 1 | 
| Homo sapiens | Ribosomal protein S6 kinase alpha 1 | 6.4 | 6.4 | 6.4 | pKd | 4 | 
| Homo sapiens | Ribosomal protein S6 kinase alpha 2 | 6.6 | 5.8 | 6.6 | pKd | 6 | 
| Homo sapiens | Ribosomal protein S6 kinase alpha 3 | 5.4 | 5.4 | 5.7 | pKd | 6 | 
| Homo sapiens | Ribosomal protein S6 kinase alpha 4 | 5.2 | 5.2 | 5.2 | pKd | 4 | 
| Homo sapiens | Ribosomal protein S6 kinase alpha 5 | 5.9 | 5.7 | 5.9 | pKd | 6 | 
| Homo sapiens | Ribosomal protein S6 kinase alpha 6 | 5.6 | 5.6 | 5.6 | pKd | 4 | 
| Homo sapiens | Serine/threonine-protein kinase 10 | 6.6 | 6 | 6.6 | pKd | 3 | 
| Homo sapiens | Serine/threonine-protein kinase 11 | 5.2 | 5.2 | 5.2 | pKd | 1 | 
| Homo sapiens | Serine/threonine-protein kinase 2 | 6.4 | 6 | 6.4 | pKd | 3 | 
| Homo sapiens | Serine/threonine-protein kinase 33 | 5.5 | 5.5 | 5.6 | pKd | 2 | 
| Homo sapiens | Serine/threonine-protein kinase AKT2 | 5.1 | 5.1 | 5.1 | pKd | 1 | 
| Homo sapiens | Serine/threonine-protein kinase AKT3 | 5.9 | 5.9 | 5.9 | pKd | 2 | 
| Homo sapiens | Serine/threonine-protein kinase Aurora-C | 5.5 | 5.5 | 5.5 | pKd | 1 | 
| Homo sapiens | Serine/threonine-protein kinase Chk1 | 6.3 | 6.3 | 6.3 | pKd | 2 | 
| Homo sapiens | Serine/threonine-protein kinase Chk2 | 5.4 | 5.4 | 5.4 | pKd | 1 | 
| Homo sapiens | Serine/threonine-protein kinase D2 | 6.1 | 6.1 | 6.1 | pKd | 2 | 
| Homo sapiens | Serine/threonine-protein kinase GAK | 6 | 5.9 | 6 | pKd | 3 | 
| Homo sapiens | Serine/threonine-protein kinase ICK | 6.6 | 6.6 | 6.6 | pKd | 1 | 
| Homo sapiens | Serine/threonine-protein kinase LATS1 | 5.6 | 5.6 | 5.6 | pKd | 2 | 
| Homo sapiens | Serine/threonine-protein kinase LATS2 | 6.2 | 6.2 | 6.2 | pKd | 2 | 
| Homo sapiens | Serine/threonine-protein kinase MST1 | 6.7 | 6.7 | 6.7 | pKd | 1 | 
| Homo sapiens | Serine/threonine-protein kinase MST2 | 6 | 6 | 6 | pKd | 2 | 
| Mus musculus | Serine/threonine-protein kinase MST2 | 7.1 | 7.1 | 7.1 | pKd | 1 | 
| Homo sapiens | Serine/threonine-protein kinase PCTAIRE-1 | 5.1 | 5.1 | 5.6 | pKd | 2 | 
| Homo sapiens | Serine/threonine-protein kinase PIM1 | 6.7 | 6.7 | 6.7 | pIC50 | 2 | 
| Homo sapiens | Serine/threonine-protein kinase PIM1 | 6.6 | 6.6 | 7.3 | pKd | 4 | 
| Homo sapiens | Serine/threonine-protein kinase PIM2 | 5.8 | 5.8 | 6.9 | pKd | 4 | 
| Homo sapiens | Serine/threonine-protein kinase PIM3 | 7.9 | 7.9 | 7.9 | pKd | 2 | 
| Homo sapiens | Serine/threonine-protein kinase PLK4 | 5.3 | 5.3 | 6.4 | pKd | 3 | 
| Homo sapiens | Serine/threonine-protein kinase PRP4 homolog | 5.8 | 5.8 | 5.8 | pKd | 1 | 
| Homo sapiens | Serine/threonine-protein kinase RIO1 | 6.1 | 6.1 | 6.1 | pKd | 2 | 
| Homo sapiens | Serine/threonine-protein kinase RIO3 | 6.2 | 6.2 | 6.2 | pKd | 1 | 
| Homo sapiens | Serine/threonine-protein kinase Sgk3 | 5.9 | 5.9 | 5.9 | pKd | 1 | 
| Homo sapiens | Serine/threonine-protein kinase SRPK1 | 5.9 | 5.9 | 5.9 | pKd | 1 | 
| Homo sapiens | Serine/threonine-protein kinase SRPK2 | 6 | 6 | 6 | pKd | 1 | 
| Homo sapiens | Serine/threonine-protein kinase SRPK3 | 5.8 | 5.8 | 5.8 | pKd | 1 | 
| Homo sapiens | Serine/threonine-protein kinase TAO1 | 5.8 | 5.8 | 5.8 | pKd | 1 | 
| Homo sapiens | Serine/threonine-protein kinase TAO2 | 5.4 | 5.4 | 5.4 | pKd | 1 | 
| Homo sapiens | Serine/threonine-protein kinase TAO3 | 7 | 7 | 7 | pKd | 1 | 
| Homo sapiens | Serine/threonine-protein kinase TBK1 | 6 | 6 | 6 | pKd | 1 | 
| Homo sapiens | Serine/threonine-protein kinase tousled-like 1 | 5.7 | 5.7 | 5.7 | pKd | 1 | 
| Homo sapiens | SPS1/STE20-related protein kinase YSK4 | 7.3 | 7.3 | 7.3 | pKd | 1 | 
| Homo sapiens | Stem cell growth factor receptor | 5.8 | 5 | 6.4 | pKd | 8 | 
| Homo sapiens | TRAF2- and NCK-interacting kinase | 5.2 | 5.2 | 5.2 | pKd | 1 | 
| Homo sapiens | Tyrosine-protein kinase HCK | 5.6 | 5.6 | 5.6 | pKd | 1 | 
| Homo sapiens | Tyrosine-protein kinase JAK3 | 5.9 | 5.9 | 6.4 | pKd | 4 | 
| Homo sapiens | Tyrosine-protein kinase LCK | 5.9 | 5.9 | 5.9 | pKd | 1 | 
| Homo sapiens | Tyrosine-protein kinase receptor FLT3 | 6.6 | 5.7 | 6.9 | pKd | 13 | 
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 86 | 2 I 87 | 3 L 88 | 4 G 89 | 5 E 90 | 6 G 91 | 7 S 92 | 8 F 93 | 9 S 94 | 10 T 95 | 11 V 96 | 12 V 97 | 13 L 98 | 14 Y 108 | 15 A 109 | 16 I 110 | 17 K 111 | 18 I 112 | 19 L 113 | 20 Y 126 | 
| • | • | • | • | • | • | • | |||||||||||||
| αC | b.l | IV | |||||||||||||||||
| 21 V 127 | 22 T 128 | 23 R 129 | 24 E 130 | 25 R 131 | 26 D 132 | 27 V 133 | 28 M 134 | 29 S 135 | 30 R 136 | 31 L 137 | 32 D 138 | 33 P 140 | 34 F 141 | 35 F 142 | 36 V 143 | 37 K 144 | 38 L 145 | 39 Y 146 | 40 F 147 | 
| • | |||||||||||||||||||
| IV | V | GK | hinge | linker | αD | αE | |||||||||||||
| 41 T 148 | 42 Y 156 | 43 F 157 | 44 G 158 | 45 L 159 | 46 S 160 | 47 Y 161 | 48 A 162 | 49 K 163 | 50 N 164 | 51 G 165 | 52 E 166 | 53 L 167 | 54 L 168 | 55 K 169 | 56 Y 170 | 57 I 171 | 58 R 172 | 59 K 173 | 60 Y 195 | 
| • | • | • | •• | • | • | ||||||||||||||
| αE | VI | c.l | VII | VIII | x | ||||||||||||||
| 61 L 196 | 62 H 197 | 63 G 198 | 64 K 199 | 65 G 200 | 66 I 201 | 67 I 202 | 68 H 203 | 69 R 204 | 70 D 205 | 71 L 206 | 72 K 207 | 73 P 208 | 74 E 209 | 75 N 210 | 76 I 211 | 77 L 212 | 78 L 213 | 79 I 221 | 80 T 222 | 
| • | • | •• | |||||||||||||||||
| DFG | a.l | ||||||||||||||||||
| 81 D 223 | 82 F 224 | 83 G 225 | 84 T 226 | 85 A 227 | |||||||||||||||
| • | |||||||||||||||||||
Interaction pattern search
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