 
		
	                PDB-code
	                
	                        
	                
	        
		| More entries for 2J2I | |||||
| 2J2I | Alternative model: | A | Chain: | B | |
| Structural information | |
| DFG conformation: | in | 
| αC-helix conformation: | in | 
| G-rich loop angle (distance): | 55.2° (16.7Å) | 
| G-rich loop rotation: | 40.7° | 
| Quality Score: | 8 | 
| Resolution: | 1.9 Å | 
| Missing Residues: | 0 | 
| Missing Atoms: | 0 | 
| Ligand binding mode | ||||
| Pockets | Subpockets | Waters | ||
| front | Cluster I1 I4 I5 | Ligand No No Yes | Protein Yes Yes Yes | |
| Pocket alignment | |
| Uniprot sequence: | PLLGSGGFGSVYSVAIKHVRVPMEVVLLKKVSSGVIRLLDWVLILERPEVQDLFDFITEHCHNCGVLHRDIKDENILILIDFGSG | 
| Sequence structure: | PLLGSGGFGSVYSVAIKHVRVPMEVVLLKKVSSGVIRLLDWVLILERPEVQDLFDFITEHCHNCGVLHRDIKDENILILIDFGSG | 
| 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 P 42 | 2 L 43 | 3 L 44 | 4 G 45 | 5 S 46 | 6 G 47 | 7 G 48 | 8 F 49 | 9 G 50 | 10 S 51 | 11 V 52 | 12 Y 53 | 13 S 54 | 14 V 64 | 15 A 65 | 16 I 66 | 17 K 67 | 18 H 68 | 19 V 69 | 20 R 85 | 
| • | • | •• | • | • | • | ||||||||||||||
| αC | b.l | IV | |||||||||||||||||
| 21 V 86 | 22 P 87 | 23 M 88 | 24 E 89 | 25 V 90 | 26 V 91 | 27 L 92 | 28 L 93 | 29 K 94 | 30 K 95 | 31 V 96 | 32 S 97 | 33 S 101 | 34 G 102 | 35 V 103 | 36 I 104 | 37 R 105 | 38 L 106 | 39 L 107 | 40 D 108 | 
| • | |||||||||||||||||||
| IV | V | GK | hinge | linker | αD | αE | |||||||||||||
| 41 W 109 | 42 V 117 | 43 L 118 | 44 I 119 | 45 L 120 | 46 E 121 | 47 R 122 | 48 P 123 | 49 E 124 | 50 V 126 | 51 Q 127 | 52 D 128 | 53 L 129 | 54 F 130 | 55 D 131 | 56 F 132 | 57 I 133 | 58 T 134 | 59 E 135 | 60 H 157 | 
| • | • | • | |||||||||||||||||
| αE | VI | c.l | VII | VIII | x | ||||||||||||||
| 61 C 158 | 62 H 159 | 63 N 160 | 64 C 161 | 65 G 162 | 66 V 163 | 67 L 164 | 68 H 165 | 69 R 166 | 70 D 167 | 71 I 168 | 72 K 169 | 73 D 170 | 74 E 171 | 75 N 172 | 76 I 173 | 77 L 174 | 78 I 175 | 79 L 184 | 80 I 185 | 
| • | • | • | |||||||||||||||||
| DFG | a.l | ||||||||||||||||||
| 81 D 186 | 82 F 187 | 83 G 188 | 84 S 189 | 85 G 190 | |||||||||||||||
| • | |||||||||||||||||||
Interaction pattern search
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