 
		
	                PDB-code
	                
	                        
	                
	        
		| More entries for 6GTT | |||||
| 6GTT | Alternative model: | B | Chain: | A | |
| Structural information | |
| DFG conformation: | out | 
| αC-helix conformation: | in | 
| G-rich loop angle (distance): | 54° (17.2Å) | 
| G-rich loop rotation: | 39.3° | 
| Quality Score: | 8.5 | 
| Resolution: | 2.25 Å | 
| Missing Residues: | 2 | 
| Missing Atoms: | 7 | 
| Ligand binding mode | ||||
| Pockets | Subpockets | |||
| front gate back | BP-I-A BP-I-B BP-II-out BP-III BP-V | |||
| Pocket alignment | |
| Uniprot sequence: | GELGDGAFGKVYKAAAKVIDYIVEIEILATCDPYIVKLLGAWIMIEFCPGGAVDAIMLEFLHSKRIIHRDLKAGNVLMLADFGVS | 
| Sequence structure: | GELGDGAFGKVYKAAAKVIDYIVEIEILATCDPYIVKLLGAWIMIEFCPGGAVDAIMLEFLHSKRIIHRDLKAGNVLMLADFG__ | 
| Ligand affinity | |
| ChEMBL ID: | CHEMBL103667 | 
| Bioaffinities: | 326 records for 91 kinases | 
| Species | Kinase (ChEMBL naming) | Median | Min | Max | Type | Records | 
|---|---|---|---|---|---|---|
| Homo sapiens | Activin receptor type-1B | 4.4 | 4.4 | 4.4 | pIC50 | 1 | 
| Homo sapiens | Ankyrin repeat and protein kinase domain-containing protein 1 | 6 | 6 | 6 | pKd | 2 | 
| Homo sapiens | CaM kinase II beta | 4.4 | 4.4 | 4.4 | pIC50 | 1 | 
| Homo sapiens | Cell division cycle 2-like protein kinase 6 | 6.7 | 6.7 | 6.7 | pKd | 2 | 
| Homo sapiens | Cell division protein kinase 8 | 6.7 | 6.7 | 6.7 | pKd | 2 | 
| Homo sapiens | Cell division protein kinase 8 | 6.8 | 6.8 | 6.8 | pKi | 1 | 
| Homo sapiens | Citron Rho-interacting kinase | 5.7 | 5.7 | 5.7 | pKd | 2 | 
| Homo sapiens | c-Jun N-terminal kinase 1 | 5 | 5 | 5 | pKd | 1 | 
| Homo sapiens | c-Jun N-terminal kinase 2 | 7.6 | 6.8 | 8.2 | pIC50 | 7 | 
| Homo sapiens | c-Jun N-terminal kinase 2 | 8.1 | 8.1 | 8.3 | pKd | 4 | 
| Homo sapiens | c-Jun N-terminal kinase 2 | 8.2 | 8.2 | 8.2 | pKi | 1 | 
| Homo sapiens | c-Jun N-terminal kinase 3 | 5.9 | 5.9 | 5.9 | pIC50 | 2 | 
| Homo sapiens | c-Jun N-terminal kinase 3 | 7 | 7 | 7.2 | pKd | 4 | 
| Homo sapiens | c-Jun N-terminal kinase 3 | 7.4 | 7.4 | 7.4 | pKi | 1 | 
| Homo sapiens | Cyclin-dependent kinase 5 | 5.7 | 5.7 | 6.4 | pKd | 3 | 
| Homo sapiens | Cyclin-dependent kinase 7 | 5.5 | 5.5 | 5.5 | pKd | 1 | 
| Homo sapiens | Discoidin domain-containing receptor 2 | 7.9 | 7.2 | 8 | pIC50 | 3 | 
| Homo sapiens | Discoidin domain-containing receptor 2 | 7.5 | 7.5 | 7.7 | pKd | 5 | 
| Homo sapiens | Dual specificity protein kinase TTK | 5.5 | 5.5 | 5.9 | pKd | 3 | 
| Homo sapiens | Ephrin type-A receptor 1 | 6.2 | 6.2 | 6.2 | pIC50 | 1 | 
| Homo sapiens | Ephrin type-A receptor 1 | 5 | 5 | 5 | pKd | 2 | 
| Homo sapiens | Ephrin type-A receptor 2 | 6.8 | 6.8 | 6.8 | pIC50 | 1 | 
| Homo sapiens | Ephrin type-A receptor 2 | 5.2 | 5.2 | 5.5 | pKd | 3 | 
| Homo sapiens | Ephrin type-A receptor 3 | 5.9 | 5.9 | 5.9 | pIC50 | 1 | 
| Homo sapiens | Ephrin type-A receptor 3 | 6.1 | 6.1 | 6.2 | pKd | 3 | 
| Homo sapiens | Ephrin type-A receptor 4 | 7.2 | 7.2 | 7.2 | pIC50 | 1 | 
| Homo sapiens | Ephrin type-A receptor 4 | 5.5 | 5.4 | 5.5 | pKd | 3 | 
| Homo sapiens | Ephrin type-A receptor 5 | 7.1 | 7.1 | 7.1 | pIC50 | 1 | 
| Homo sapiens | Ephrin type-A receptor 5 | 5.9 | 5.9 | 5.9 | pKd | 3 | 
| Homo sapiens | Ephrin type-A receptor 6 | 5.7 | 5.7 | 6.4 | pKd | 3 | 
| Homo sapiens | Ephrin type-A receptor 7 | 6.1 | 6.1 | 6.7 | pKd | 3 | 
| Homo sapiens | Ephrin type-A receptor 8 | 6.6 | 6.6 | 6.9 | pKd | 3 | 
| Homo sapiens | Ephrin type-B receptor 1 | 7 | 7 | 7 | pIC50 | 1 | 
| Homo sapiens | Ephrin type-B receptor 1 | 5.3 | 5.3 | 5.4 | pKd | 3 | 
| Homo sapiens | Ephrin type-B receptor 2 | 6.8 | 6.8 | 6.8 | pIC50 | 1 | 
| Homo sapiens | Ephrin type-B receptor 2 | 6.4 | 6.4 | 6.4 | pKd | 2 | 
| Homo sapiens | Ephrin type-B receptor 3 | 5 | 5 | 5 | pIC50 | 1 | 
| Homo sapiens | Ephrin type-B receptor 4 | 6.1 | 6.1 | 6.1 | pIC50 | 1 | 
| Homo sapiens | Epidermal growth factor receptor erbB1 | 5.4 | 5.4 | 5.4 | pIC50 | 1 | 
| Homo sapiens | Epidermal growth factor receptor erbB1 | 5.2 | 5 | 5.6 | pKd | 12 | 
| Homo sapiens | Epidermal growth factor receptor erbB1 | 6.7 | 6.7 | 6.7 | pKi | 1 | 
| Homo sapiens | Epithelial discoidin domain-containing receptor 1 | 8.7 | 8.7 | 8.7 | pKd | 3 | 
| Homo sapiens | Fibroblast growth factor receptor 1 | 4.8 | 4.8 | 4.8 | pIC50 | 1 | 
| Homo sapiens | Fibroblast growth factor receptor 1 | 5.4 | 5.4 | 5.4 | pKd | 2 | 
| Homo sapiens | Fibroblast growth factor receptor 2 | 4.6 | 4.6 | 4.6 | pIC50 | 1 | 
| Homo sapiens | Fibroblast growth factor receptor 4 | 5.2 | 5.2 | 5.2 | pIC50 | 1 | 
| Homo sapiens | Focal adhesion kinase 1 | 5.7 | 5.7 | 5.7 | pIC50 | 1 | 
| Homo sapiens | Focal adhesion kinase 1 | 5.2 | 5.2 | 5.2 | pKd | 2 | 
| Homo sapiens | Leukocyte tyrosine kinase receptor | 5.9 | 5.9 | 5.9 | pKd | 2 | 
| Homo sapiens | Macrophage colony stimulating factor receptor | 5.1 | 5.1 | 5.1 | pKd | 2 | 
| Homo sapiens | MAP kinase ERK2 | 5 | 5 | 5 | pIC50 | 1 | 
| Homo sapiens | MAP kinase-interacting serine/threonine-protein kinase MNK1 | 5.2 | 5.2 | 5.2 | pKd | 1 | 
| Homo sapiens | MAP kinase p38 alpha | 7.7 | 6.4 | 10 | pIC50 | 18 | 
| Homo sapiens | MAP kinase p38 alpha | 9.6 | 7.9 | 10.3 | pKd | 14 | 
| Homo sapiens | MAP kinase p38 alpha | 8.1 | 7.7 | 10 | pKi | 4 | 
| Mus musculus | MAP kinase p38 alpha | 10.3 | 10.3 | 10.3 | pKd | 1 | 
| Homo sapiens | MAP kinase p38 beta | 8.2 | 8.2 | 8.2 | pIC50 | 1 | 
| Homo sapiens | MAP kinase p38 beta | 6.7 | 5.8 | 8.1 | pKd | 3 | 
| Homo sapiens | MAP kinase p38 delta | 5.7 | 5.7 | 6.5 | pIC50 | 2 | 
| Homo sapiens | MAP kinase p38 delta | 7.1 | 7.1 | 7.1 | pKd | 1 | 
| Homo sapiens | MAP kinase p38 delta | 7.3 | 7.3 | 7.3 | pKi | 1 | 
| Homo sapiens | MAP kinase p38 gamma | 6.5 | 6.5 | 7.5 | pIC50 | 5 | 
| Homo sapiens | MAP kinase p38 gamma | 7.9 | 7.7 | 8.5 | pKd | 3 | 
| Homo sapiens | MAP kinase p38 gamma | 6.3 | 6.3 | 6.3 | pKi | 1 | 
| Homo sapiens | MAP kinase signal-integrating kinase 2 | 5.8 | 5.8 | 6 | pKd | 3 | 
| Homo sapiens | MAP/microtubule affinity-regulating kinase 2 | 4.4 | 4.4 | 4.4 | pIC50 | 1 | 
| Homo sapiens | Misshapen-like kinase 1 | 7.4 | 7.4 | 7.4 | pIC50 | 1 | 
| Homo sapiens | Misshapen-like kinase 1 | 6.5 | 6.5 | 6.5 | pKd | 1 | 
| Homo sapiens | Mitogen-activated protein kinase 15 | 5.5 | 5.5 | 5.5 | pKd | 2 | 
| Homo sapiens | Mitogen-activated protein kinase kinase kinase 7 | 6.8 | 6.8 | 6.8 | pKd | 1 | 
| Homo sapiens | Mitogen-activated protein kinase kinase kinase kinase 4 | 7.1 | 7.1 | 7.1 | pKd | 2 | 
| Homo sapiens | Mitogen-activated protein kinase kinase kinase kinase 4 | 6.8 | 6.8 | 6.8 | pKi | 1 | 
| Homo sapiens | Mixed lineage kinase 7 | 6.1 | 6.1 | 6.1 | pKd | 2 | 
| Homo sapiens | Muscle, skeletal receptor tyrosine protein kinase | 5.7 | 5.7 | 5.7 | pKd | 2 | 
| Homo sapiens | Nerve growth factor receptor Trk-A | 6.8 | 6.8 | 6.8 | pIC50 | 1 | 
| Homo sapiens | Nerve growth factor receptor Trk-A | 6 | 6 | 6.1 | pKd | 3 | 
| Homo sapiens | Neurotrophic tyrosine kinase receptor type 2 | 7.3 | 7.3 | 7.3 | pIC50 | 1 | 
| Homo sapiens | Neurotrophic tyrosine kinase receptor type 2 | 6.2 | 6.2 | 6.2 | pKd | 2 | 
| Homo sapiens | Neurotrophic tyrosine kinase receptor type 2 | 6.1 | 6.1 | 6.1 | pKi | 1 | 
| Homo sapiens | NT-3 growth factor receptor | 6.7 | 6.7 | 6.7 | pKd | 2 | 
| Homo sapiens | NT-3 growth factor receptor | 6.1 | 6.1 | 6.1 | pKi | 1 | 
| Homo sapiens | Platelet-derived growth factor receptor alpha | 5.9 | 5.9 | 5.9 | pKd | 2 | 
| Homo sapiens | Platelet-derived growth factor receptor beta | 5.2 | 5.2 | 5.2 | pIC50 | 1 | 
| Homo sapiens | Platelet-derived growth factor receptor beta | 6 | 6 | 6 | pKd | 3 | 
| Homo sapiens | Platelet-derived growth factor receptor beta | 5.9 | 5.9 | 5.9 | pKi | 1 | 
| Homo sapiens | Protein kinase C beta | 4.4 | 4.4 | 5.2 | pIC50 | 2 | 
| Homo sapiens | Protein kinase C delta | 5.7 | 5.7 | 5.7 | pIC50 | 1 | 
| Homo sapiens | Protein tyrosine kinase 2 beta | 4.9 | 4.9 | 6.4 | pIC50 | 2 | 
| Homo sapiens | Protein tyrosine kinase 2 beta | 6 | 6 | 6 | pKd | 2 | 
| Homo sapiens | Proto-oncogene tyrosine-protein kinase MER | 5.4 | 5.4 | 5.4 | pKd | 2 | 
| Homo sapiens | Serine/threonine-protein kinase 10 | 7.9 | 7.9 | 8.2 | pKd | 3 | 
| Homo sapiens | Serine/threonine-protein kinase 2 | 6.8 | 6.8 | 7.1 | pKd | 3 | 
| Homo sapiens | Serine/threonine-protein kinase B-raf | 7.1 | 7.1 | 7.1 | pIC50 | 1 | 
| Homo sapiens | Serine/threonine-protein kinase B-raf | 5.6 | 5.6 | 5.6 | pKd | 2 | 
| Homo sapiens | Serine/threonine-protein kinase Chk2 | 4.7 | 4.7 | 4.7 | pIC50 | 1 | 
| Homo sapiens | Serine/threonine-protein kinase D2 | 5.5 | 5.5 | 5.5 | pKi | 1 | 
| Homo sapiens | Serine/threonine-protein kinase MRCK-A | 5 | 5 | 5 | pKd | 2 | 
| Homo sapiens | Serine/threonine-protein kinase MRCK beta | 6 | 6 | 6 | pKd | 2 | 
| Homo sapiens | Serine/threonine-protein kinase MRCK gamma | 5.9 | 5.9 | 5.9 | pKd | 2 | 
| Homo sapiens | Serine/threonine protein kinase NLK | 6 | 6 | 6 | pKd | 2 | 
| Homo sapiens | Serine/threonine-protein kinase RAF | 5.9 | 5.9 | 5.9 | pIC50 | 2 | 
| Homo sapiens | Serine/threonine-protein kinase RIPK2 | 5 | 5 | 5 | pIC50 | 1 | 
| Homo sapiens | Serine/threonine-protein kinase RIPK2 | 5.2 | 5.2 | 5.2 | pKd | 1 | 
| Homo sapiens | Stem cell growth factor receptor | 6.6 | 5.6 | 6.8 | pKd | 11 | 
| Homo sapiens | TRAF2- and NCK-interacting kinase | 6.9 | 6.9 | 8 | pKd | 4 | 
| Homo sapiens | Tyrosine-protein kinase ABL | 4.4 | 4.4 | 4.4 | pIC50 | 1 | 
| Homo sapiens | Tyrosine-protein kinase ABL | 5.6 | 5.1 | 7.4 | pKd | 18 | 
| Mus musculus | Tyrosine-protein kinase ABL | 4.8 | 4.8 | 4.8 | pIC50 | 1 | 
| Homo sapiens | Tyrosine-protein kinase ABL2 | 5.9 | 5.9 | 5.9 | pKd | 1 | 
| Homo sapiens | Tyrosine-protein kinase BLK | 6.2 | 6.2 | 6.2 | pKd | 2 | 
| Homo sapiens | Tyrosine-protein kinase FER | 4.8 | 4.8 | 4.8 | pIC50 | 1 | 
| Homo sapiens | Tyrosine-protein kinase FGR | 5.1 | 5.1 | 5.1 | pIC50 | 1 | 
| Homo sapiens | Tyrosine-protein kinase FRK | 5.9 | 5.9 | 6.4 | pKd | 3 | 
| Homo sapiens | Tyrosine-protein kinase FYN | 4.6 | 4.6 | 4.6 | pIC50 | 1 | 
| Homo sapiens | Tyrosine-protein kinase HCK | 5.8 | 5.8 | 5.8 | pIC50 | 1 | 
| Homo sapiens | Tyrosine-protein kinase LCK | 4.5 | 4.5 | 5.7 | pIC50 | 2 | 
| Homo sapiens | Tyrosine-protein kinase LCK | 5.9 | 5.9 | 6 | pKd | 3 | 
| Homo sapiens | Tyrosine-protein kinase LCK | 5.7 | 5.7 | 5.7 | pKi | 1 | 
| Homo sapiens | Tyrosine-protein kinase Lyn | 6 | 6 | 6 | pIC50 | 1 | 
| Homo sapiens | Tyrosine-protein kinase Lyn | 5.6 | 5.6 | 5.6 | pKd | 2 | 
| Homo sapiens | Tyrosine-protein kinase Lyn | 6.2 | 6.2 | 6.2 | pKi | 1 | 
| Homo sapiens | Tyrosine-protein kinase receptor FLT3 | 5.6 | 5.3 | 6.1 | pKd | 7 | 
| Homo sapiens | Tyrosine-protein kinase receptor RET | 7.5 | 7.5 | 7.5 | pIC50 | 1 | 
| Homo sapiens | Tyrosine-protein kinase receptor RET | 6.3 | 6.3 | 6.6 | pKd | 4 | 
| Homo sapiens | Tyrosine-protein kinase receptor Tie-1 | 8.1 | 8.1 | 8.1 | pKd | 2 | 
| Homo sapiens | Tyrosine-protein kinase receptor TYRO3 | 5.7 | 5.7 | 5.7 | pKi | 1 | 
| Homo sapiens | Tyrosine-protein kinase SRC | 4.5 | 4.5 | 4.5 | pIC50 | 1 | 
| Homo sapiens | Tyrosine-protein kinase TIE-2 | 7.6 | 7.6 | 7.6 | pIC50 | 1 | 
| Homo sapiens | Tyrosine-protein kinase TIE-2 | 7.7 | 7.7 | 8 | pKd | 3 | 
| Homo sapiens | Tyrosine-protein kinase YES | 5.1 | 5.1 | 5.1 | pIC50 | 1 | 
| Homo sapiens | Tyrosine-protein kinase YES | 5.3 | 5.3 | 5.3 | pKd | 2 | 
| Homo sapiens | Vascular endothelial growth factor receptor 1 | 6.6 | 6.6 | 6.6 | pIC50 | 1 | 
| Homo sapiens | Vascular endothelial growth factor receptor 1 | 6.4 | 6.4 | 6.4 | pKd | 2 | 
| Homo sapiens | Vascular endothelial growth factor receptor 1 | 5.6 | 5.6 | 5.6 | pKi | 1 | 
| Homo sapiens | Vascular endothelial growth factor receptor 2 | 6.5 | 6.5 | 6.5 | pIC50 | 1 | 
| Homo sapiens | Vascular endothelial growth factor receptor 2 | 5.4 | 5.4 | 5.5 | pKd | 3 | 
| Homo sapiens | Vascular endothelial growth factor receptor 2 | 6.6 | 6.6 | 6.6 | pKi | 1 | 
| Homo sapiens | Vascular endothelial growth factor receptor 3 | 6.6 | 6.6 | 6.6 | pIC50 | 1 | 
| Homo sapiens | Vascular endothelial growth factor receptor 3 | 5.2 | 5.2 | 5.6 | pKd | 3 | 
| Homo sapiens | Vascular endothelial growth factor receptor 3 | 6 | 6 | 6 | pKi | 1 | 
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 G 40 | 2 E 41 | 3 L 42 | 4 G 43 | 5 D 44 | 6 G 45 | 7 A 46 | 8 F 47 | 9 G 48 | 10 K 49 | 11 V 50 | 12 Y 51 | 13 K 52 | 14 A 62 | 15 A 63 | 16 A 64 | 17 K 65 | 18 V 66 | 19 I 67 | 20 D 77 | 
| • | • | • | • | • | |||||||||||||||
| αC | b.l | IV | |||||||||||||||||
| 21 Y 78 | 22 I 79 | 23 V 80 | 24 E 81 | 25 I 82 | 26 E 83 | 27 I 84 | 28 L 85 | 29 A 86 | 30 T 87 | 31 C 88 | 32 D 89 | 33 P 91 | 34 Y 92 | 35 I 93 | 36 V 94 | 37 K 95 | 38 L 96 | 39 L 97 | 40 G 98 | 
| •• | • | • | • | • | • | ||||||||||||||
| IV | V | GK | hinge | linker | αD | αE | |||||||||||||
| 41 A 99 | 42 W 107 | 43 I 108 | 44 M 109 | 45 I 110 | 46 E 111 | 47 F 112 | 48 C 113 | 49 P 114 | 50 G 115 | 51 G 116 | 52 A 117 | 53 V 118 | 54 D 119 | 55 A 120 | 56 I 121 | 57 M 122 | 58 L 123 | 59 E 124 | 60 F 147 | 
| • | • | • | •• | ||||||||||||||||
| αE | VI | c.l | VII | VIII | x | ||||||||||||||
| 61 L 148 | 62 H 149 | 63 S 150 | 64 K 151 | 65 R 152 | 66 I 153 | 67 I 154 | 68 H 155 | 69 R 156 | 70 D 157 | 71 L 158 | 72 K 159 | 73 A 160 | 74 G 161 | 75 N 162 | 76 V 163 | 77 L 164 | 78 M 165 | 79 L 173 | 80 A 174 | 
| • | • | • | • | • | |||||||||||||||
| DFG | a.l | ||||||||||||||||||
| 81 D 175 | 82 F 176 | 83 G 177 | 84 _ _ | 85 _ _ | |||||||||||||||
| •• | •• | ||||||||||||||||||
Interaction pattern search
Search KLIFS for kinase-ligand complexes with similar interaction patterns:
							
				
  
			 
 




