 
		
	                PDB-code
	                
	                        
	                
	        
		| More entries for 3EFL | |||
| 3EFL | Chain: | A | |
| Structural information | |
| DFG conformation: | out | 
| αC-helix conformation: | in | 
| G-rich loop angle (distance): | 59.3° (18.2Å) | 
| G-rich loop rotation: | 48° | 
| Quality Score: | 6.8 | 
| Resolution: | 2.2 Å | 
| Missing Residues: | 3 | 
| Missing Atoms: | 0 | 
| Ligand binding mode | ||||
| Pockets | Subpockets | Waters | ||
| front gate back | BP-I-A BP-I-B BP-II-out BP-III | Cluster I1 | Ligand No | Protein Yes | 
| Pocket alignment | |
| Uniprot sequence: | KPLGRGAFGQVIEVAVKMLALMSELKILIHIGLNVVNLLGAMVIVEFCKFGNLSTYLRSFLASRKCIHRDLAARNILLICDFGLA | 
| Sequence structure: | KPLGRG__GQVIEVAVKMLALMSELKILIHIGLNVVNLLGAMVIVEFCKFGNLSTYLRSFLASRKCIHRDLAARNILLICDFGL_ | 
| Ligand affinity | |
| ChEMBL ID: | CHEMBL572881 | 
| Bioaffinities: | 129 records for 42 kinases | 
| Species | Kinase (ChEMBL naming) | Median | Min | Max | Type | Records | 
|---|---|---|---|---|---|---|
| Homo sapiens | Citron Rho-interacting kinase | 6.5 | 6.5 | 6.5 | pKd | 2 | 
| Homo sapiens | Ephrin type-A receptor 6 | 6.3 | 6.3 | 6.3 | pKd | 2 | 
| Homo sapiens | Epidermal growth factor receptor erbB1 | 5.6 | 5.2 | 7.8 | pKd | 16 | 
| Homo sapiens | Epithelial discoidin domain-containing receptor 1 | 6.6 | 6.6 | 6.6 | pKd | 2 | 
| Homo sapiens | Eukaryotic translation initiation factor 2-alpha kinase 4 | 5.4 | 5.4 | 5.4 | pKd | 2 | 
| Homo sapiens | Fibroblast growth factor receptor 1 | 5.2 | 5.2 | 5.2 | pKd | 2 | 
| Homo sapiens | Fibroblast growth factor receptor 4 | 5.2 | 5.2 | 5.2 | pKd | 2 | 
| Homo sapiens | Macrophage colony stimulating factor receptor | 8.3 | 8.3 | 8.3 | pKd | 2 | 
| Homo sapiens | Mitogen-activated protein kinase kinase kinase 2 | 5.2 | 5.2 | 5.2 | pKd | 1 | 
| Homo sapiens | Mitogen-activated protein kinase kinase kinase 3 | 5.7 | 5.7 | 5.7 | pKd | 1 | 
| Homo sapiens | Mitogen-activated protein kinase kinase kinase 7 | 5.9 | 5.9 | 5.9 | pKd | 1 | 
| Homo sapiens | Mitogen-activated protein kinase kinase kinase kinase 4 | 5.2 | 5.2 | 5.2 | pKd | 1 | 
| Homo sapiens | Mixed lineage kinase 7 | 8.1 | 8.1 | 8.1 | pKd | 2 | 
| Homo sapiens | Platelet-derived growth factor receptor alpha | 8 | 8 | 8 | pKd | 2 | 
| Homo sapiens | Platelet-derived growth factor receptor beta | 8 | 8 | 8 | pKd | 2 | 
| Homo sapiens | Serine/threonine-protein kinase 10 | 6 | 6 | 6 | pKd | 2 | 
| Homo sapiens | Serine/threonine-protein kinase 2 | 5.9 | 5.9 | 5.9 | pKd | 2 | 
| Homo sapiens | Serine/threonine-protein kinase 35 | 5.3 | 5.3 | 5.3 | pKd | 1 | 
| Homo sapiens | Serine/threonine-protein kinase Aurora-C | 5.7 | 5.7 | 5.7 | pKd | 2 | 
| Homo sapiens | Serine/threonine-protein kinase B-raf | 6.2 | 6.2 | 6.6 | pKd | 4 | 
| Homo sapiens | Serine/threonine-protein kinase RAF | 6.1 | 6.1 | 6.1 | pKd | 2 | 
| Homo sapiens | Serine/threonine-protein kinase RIPK2 | 5 | 5 | 5 | pKd | 1 | 
| Homo sapiens | Serine/threonine-protein kinase TNNI3K | 6.7 | 6.7 | 6.7 | pKd | 2 | 
| Homo sapiens | SPS1/STE20-related protein kinase YSK4 | 6.7 | 6.7 | 6.7 | pKd | 1 | 
| Homo sapiens | Stem cell growth factor receptor | 7.9 | 6.4 | 8.9 | pKd | 15 | 
| Homo sapiens | Tyrosine-protein kinase ABL | 5.4 | 5.1 | 6.2 | pKd | 9 | 
| Homo sapiens | Tyrosine-protein kinase ABL2 | 5.4 | 5.4 | 5.4 | pKd | 1 | 
| Homo sapiens | Tyrosine-protein kinase BLK | 5.7 | 5.7 | 5.7 | pKd | 2 | 
| Homo sapiens | Tyrosine-protein kinase BRK | 6 | 6 | 6 | pKd | 2 | 
| Homo sapiens | Tyrosine-protein kinase FGR | 5.2 | 5.2 | 5.2 | pKd | 2 | 
| Homo sapiens | Tyrosine-protein kinase FRK | 7 | 7 | 7 | pKd | 2 | 
| Homo sapiens | Tyrosine-protein kinase FYN | 5.6 | 5.6 | 5.6 | pKd | 2 | 
| Homo sapiens | Tyrosine-protein kinase HCK | 5.1 | 5.1 | 5.1 | pKd | 1 | 
| Homo sapiens | Tyrosine-protein kinase JAK1 | 5.3 | 5.3 | 5.3 | pKd | 2 | 
| Homo sapiens | Tyrosine-protein kinase LCK | 6.4 | 6.4 | 6.4 | pKd | 2 | 
| Homo sapiens | Tyrosine-protein kinase Lyn | 6.8 | 6.8 | 6.8 | pKd | 2 | 
| Homo sapiens | Tyrosine-protein kinase receptor FLT3 | 6 | 5 | 7.3 | pKd | 11 | 
| Homo sapiens | Tyrosine-protein kinase receptor RET | 7.1 | 7.1 | 7.2 | pIC50 | 2 | 
| Homo sapiens | Tyrosine-protein kinase receptor RET | 7.7 | 7.7 | 7.9 | pKd | 4 | 
| Homo sapiens | Tyrosine-protein kinase YES | 5.3 | 5.3 | 5.3 | pKd | 1 | 
| Homo sapiens | Vascular endothelial growth factor receptor 1 | 8.7 | 8.7 | 8.7 | pIC50 | 2 | 
| Homo sapiens | Vascular endothelial growth factor receptor 1 | 7.9 | 7.9 | 7.9 | pKd | 2 | 
| Homo sapiens | Vascular endothelial growth factor receptor 2 | 8.5 | 8.5 | 8.5 | pIC50 | 3 | 
| Homo sapiens | Vascular endothelial growth factor receptor 2 | 7.6 | 7.6 | 7.6 | pKd | 2 | 
| Homo sapiens | Vascular endothelial growth factor receptor 3 | 8.2 | 8.2 | 8.2 | pIC50 | 1 | 
| Homo sapiens | Vascular endothelial growth factor receptor 3 | 8 | 8 | 8 | 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 838 | 2 P 839 | 3 L 840 | 4 G 841 | 5 R 842 | 6 G 843 | 7 _ _ | 8 _ _ | 9 G 846 | 10 Q 847 | 11 V 848 | 12 I 849 | 13 E 850 | 14 V 865 | 15 A 866 | 16 V 867 | 17 K 868 | 18 M 869 | 19 L 870 | 20 A 881 | 
| • | • | • | • | • | |||||||||||||||
| αC | b.l | IV | |||||||||||||||||
| 21 L 882 | 22 M 883 | 23 S 884 | 24 E 885 | 25 L 886 | 26 K 887 | 27 I 888 | 28 L 889 | 29 I 890 | 30 H 891 | 31 I 892 | 32 G 893 | 33 L 896 | 34 N 897 | 35 V 898 | 36 V 899 | 37 N 900 | 38 L 901 | 39 L 902 | 40 G 903 | 
| •• | • | • | • | • | • | ||||||||||||||
| IV | V | GK | hinge | linker | αD | αE | |||||||||||||
| 41 A 904 | 42 M 913 | 43 V 914 | 44 I 915 | 45 V 916 | 46 E 917 | 47 F 918 | 48 C 919 | 49 K 920 | 50 F 921 | 51 G 922 | 52 N 923 | 53 L 924 | 54 S 925 | 55 T 926 | 56 Y 927 | 57 L 928 | 58 R 929 | 59 S 930 | 60 F 1018 | 
| • | • | •• | •• | ||||||||||||||||
| αE | VI | c.l | VII | VIII | x | ||||||||||||||
| 61 L 1019 | 62 A 1020 | 63 S 1021 | 64 R 1022 | 65 K 1023 | 66 C 1024 | 67 I 1025 | 68 H 1026 | 69 R 1027 | 70 D 1028 | 71 L 1029 | 72 A 1030 | 73 A 1031 | 74 R 1032 | 75 N 1033 | 76 I 1034 | 77 L 1035 | 78 L 1036 | 79 I 1044 | 80 C 1045 | 
| • | • | • | • | • | |||||||||||||||
| DFG | a.l | ||||||||||||||||||
| 81 D 1046 | 82 F 1047 | 83 G 1048 | 84 L 1067 | 85 _ _ | |||||||||||||||
| •• | •• | ||||||||||||||||||
Interaction pattern search
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