 
		
	                PDB-code
	                
	                        
	                
	        
		| More entries for 6VGL | |||
| 6VGL | Chain: | B | |
| 6VGL | Chain: | C | |
| 6VGL | Chain: | D | |
| Structural information | |
| DFG conformation: | in | 
| αC-helix conformation: | in | 
| G-rich loop angle (distance): | 48.6° (15.2Å) | 
| G-rich loop rotation: | 51.8° | 
| Quality Score: | 8 | 
| Resolution: | 1.9 Å | 
| Missing Residues: | 0 | 
| Missing Atoms: | 0 | 
| Ligand binding mode | ||||
| Pockets | Subpockets | Waters | ||
| front | FP-I FP-II | Cluster I1 I4 I7 I11 | Ligand No No Yes No | Protein Yes Yes Yes Yes | 
| Pocket alignment | |
| Uniprot sequence: | QQLGKGNFGSVEMVAVKKLDFEREIEILKSLQDNIVKYKGVKLIMEYLPYGSLRDYLQKYLGTKRYIHRDLATRNILVIGDFGLT | 
| Sequence structure: | QQLGKGNFGSVEMVAVKKLDFEREIEILKSLQDNIVKYKGVKLIMEYLPYGSLRDYLQKYLGTKRYIHRDLATRNILVIGDFGLT | 
| Ligand affinity | |
| ChEMBL ID: | CHEMBL1789941 | 
| Bioaffinities: | 274 records for 117 kinases | 
| Species | Kinase (ChEMBL naming) | Median | Min | Max | Type | Records | 
|---|---|---|---|---|---|---|
| Homo sapiens | Adaptor-associated kinase | 6.9 | 6.9 | 6.9 | pKd | 1 | 
| Homo sapiens | ALK tyrosine kinase receptor | 5.8 | 5.8 | 5.8 | pKd | 1 | 
| Homo sapiens | Ankyrin repeat and protein kinase domain-containing protein 1 | 6.4 | 6.4 | 6.4 | pKd | 1 | 
| Homo sapiens | BMP-2-inducible protein kinase | 6.7 | 6.7 | 6.7 | pKd | 1 | 
| Homo sapiens | Bone morphogenetic protein receptor type-1B | 5.8 | 5.8 | 5.8 | pKd | 1 | 
| Homo sapiens | Bone morphogenetic protein receptor type-2 | 6 | 6 | 6 | pKd | 1 | 
| Homo sapiens | CaM kinase I alpha | 6.3 | 6.3 | 6.3 | pKd | 1 | 
| Homo sapiens | CaM kinase I delta | 6.9 | 6.9 | 6.9 | pKd | 1 | 
| Homo sapiens | CaM kinase I gamma | 5.7 | 5.7 | 5.7 | pKd | 1 | 
| Homo sapiens | CaM kinase II alpha | 7.3 | 7.3 | 7.3 | pKd | 1 | 
| Homo sapiens | CaM kinase II beta | 6.5 | 6.5 | 6.5 | pKd | 1 | 
| Homo sapiens | CaM kinase II delta | 7.1 | 7.1 | 7.1 | pKd | 1 | 
| Homo sapiens | CaM kinase II gamma | 7 | 7 | 7 | pKd | 1 | 
| Homo sapiens | Casein kinase I alpha | 5.8 | 5.8 | 5.8 | pKd | 1 | 
| Homo sapiens | Casein kinase II alpha | 5.4 | 5.4 | 5.4 | pKd | 1 | 
| Homo sapiens | Casein kinase II alpha (prime) | 5.5 | 5.5 | 5.5 | pKd | 1 | 
| Homo sapiens | cGMP-dependent protein kinase 2 | 6.2 | 6.2 | 6.2 | pKd | 1 | 
| Homo sapiens | c-Jun N-terminal kinase 1 | 5.3 | 5.3 | 5.3 | pKd | 1 | 
| Homo sapiens | Cyclin-dependent kinase 7 | 5.5 | 5.5 | 5.5 | pKd | 1 | 
| Homo sapiens | Death-associated protein kinase 1 | 7.1 | 7.1 | 7.1 | pKd | 1 | 
| Homo sapiens | Death-associated protein kinase 2 | 7 | 7 | 7 | pKd | 1 | 
| Homo sapiens | Death-associated protein kinase 3 | 7.1 | 7.1 | 7.1 | pKd | 1 | 
| Homo sapiens | Dual specificity mitogen-activated protein kinase kinase 1 | 5.7 | 5.7 | 5.7 | pKd | 1 | 
| Homo sapiens | Dual specificity mitogen-activated protein kinase kinase 2 | 5.4 | 5.4 | 5.4 | pKd | 1 | 
| Homo sapiens | Dual specificity mitogen-activated protein kinase kinase 3 | 6.3 | 6.3 | 6.3 | pKd | 1 | 
| Homo sapiens | Dual specificity mitogen-activated protein kinase kinase 4 | 5.8 | 5.8 | 5.8 | pKd | 1 | 
| Homo sapiens | Dual specificity protein kinase CLK2 | 6.3 | 6.3 | 6.3 | pKd | 2 | 
| Homo sapiens | Dual specificity protein kinase CLK4 | 5.8 | 5.8 | 5.8 | pKd | 2 | 
| Homo sapiens | Dual specificity protein kinase TTK | 6.3 | 6.3 | 6.3 | pKd | 1 | 
| Homo sapiens | Dual-specificity tyrosine-phosphorylation regulated kinase 1A | 6 | 6 | 6 | pKd | 1 | 
| Homo sapiens | Dual-specificity tyrosine-phosphorylation regulated kinase 2 | 5.4 | 5.4 | 5.4 | pKd | 1 | 
| Homo sapiens | Ephrin type-A receptor 3 | 5.2 | 5.2 | 5.2 | pKd | 1 | 
| Homo sapiens | G protein-coupled receptor kinase 4 | 5.2 | 5.2 | 5.2 | pKd | 1 | 
| Homo sapiens | G protein-coupled receptor kinase 7 | 6.3 | 6.3 | 6.3 | pKd | 1 | 
| Homo sapiens | Homeodomain-interacting protein kinase 1 | 5.9 | 5.9 | 5.9 | pKd | 1 | 
| Homo sapiens | Homeodomain-interacting protein kinase 2 | 6 | 6 | 6 | pKd | 1 | 
| Homo sapiens | Homeodomain-interacting protein kinase 3 | 5.9 | 5.9 | 5.9 | pKd | 1 | 
| Homo sapiens | Inhibitor of nuclear factor kappa B kinase beta subunit | 5.6 | 5.6 | 5.6 | pKd | 1 | 
| Homo sapiens | Inhibitor of nuclear factor kappa B kinase epsilon subunit | 5.9 | 5.9 | 5.9 | pKd | 1 | 
| Homo sapiens | Interleukin-1 receptor-associated kinase 1 | 6.5 | 6.5 | 6.5 | pKd | 1 | 
| Homo sapiens | Leucine-rich repeat serine/threonine-protein kinase 2 | 6.5 | 6.5 | 7.1 | pKd | 2 | 
| Homo sapiens | Leukocyte tyrosine kinase receptor | 6.4 | 6.4 | 6.4 | pKd | 1 | 
| Homo sapiens | MAP kinase signal-integrating kinase 2 | 6.7 | 6.7 | 6.7 | pKd | 1 | 
| Homo sapiens | MAP/microtubule affinity-regulating kinase 2 | 6.2 | 6.2 | 6.2 | pKd | 1 | 
| Homo sapiens | Maternal embryonic leucine zipper kinase | 5.7 | 5.7 | 5.7 | pKd | 1 | 
| Homo sapiens | Microtubule-associated serine/threonine-protein kinase 1 | 6.3 | 6.3 | 6.3 | pKd | 1 | 
| Homo sapiens | Mitogen-activated protein kinase kinase kinase 1 | 5.4 | 5.4 | 5.4 | pKd | 1 | 
| Homo sapiens | Mitogen-activated protein kinase kinase kinase 15 | 6 | 6 | 6 | pKd | 1 | 
| Homo sapiens | Mitogen-activated protein kinase kinase kinase 2 | 7.4 | 7.4 | 7.4 | 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 7 | 6.1 | 6.1 | 6.1 | pKd | 1 | 
| Homo sapiens | Mitogen-activated protein kinase kinase kinase kinase 2 | 5.7 | 5.7 | 5.7 | pKd | 1 | 
| Homo sapiens | Myosin light chain kinase, smooth muscle | 6.4 | 6.4 | 6.4 | pKd | 1 | 
| Homo sapiens | Myotonin-protein kinase | 5.5 | 5.5 | 5.5 | pKd | 1 | 
| Homo sapiens | Nerve growth factor receptor Trk-A | 5.8 | 5.8 | 5.8 | pKd | 1 | 
| Homo sapiens | Neurotrophic tyrosine kinase receptor type 2 | 6.4 | 6.4 | 6.4 | pKd | 1 | 
| Homo sapiens | NT-3 growth factor receptor | 6.5 | 6.5 | 6.5 | pKd | 1 | 
| Homo sapiens | NUAK family SNF1-like kinase 2 | 6.5 | 6.5 | 6.5 | pKd | 1 | 
| Homo sapiens | Phosphorylase kinase gamma subunit 1 | 5.2 | 5.2 | 5.2 | pKd | 1 | 
| Homo sapiens | Phosphorylase kinase gamma subunit 2 | 6 | 6 | 6 | pKd | 1 | 
| Homo sapiens | Protein kinase C epsilon | 6.3 | 6.3 | 6.3 | pKd | 1 | 
| Homo sapiens | Putative uncharacterized serine/threonine-protein kinase SgK110 | 5.2 | 5.2 | 5.2 | pKd | 1 | 
| Homo sapiens | Receptor-interacting serine/threonine-protein kinase 4 | 5.7 | 5.7 | 5.7 | pKd | 1 | 
| Homo sapiens | Rho-associated protein kinase 1 | 7.2 | 7.2 | 7.2 | pKd | 1 | 
| Homo sapiens | Rho-associated protein kinase 2 | 7.3 | 7.3 | 7.3 | pKd | 1 | 
| Homo sapiens | Rhodopsin kinase | 6.1 | 6.1 | 6.1 | pKd | 1 | 
| Homo sapiens | Ribosomal protein S6 kinase alpha 1 | 6.9 | 6.9 | 6.9 | pKd | 2 | 
| Homo sapiens | Ribosomal protein S6 kinase alpha 2 | 6.8 | 6.8 | 6.8 | pKd | 2 | 
| Homo sapiens | Ribosomal protein S6 kinase alpha 4 | 6.5 | 6.5 | 6.5 | pKd | 2 | 
| Homo sapiens | Ribosomal protein S6 kinase alpha 5 | 6.9 | 6.9 | 6.9 | pKd | 2 | 
| Homo sapiens | Ribosomal protein S6 kinase alpha 6 | 5.9 | 5.9 | 6.8 | pKd | 4 | 
| Homo sapiens | Serine/threonine-protein kinase 16 | 6.3 | 6.3 | 6.3 | pKd | 1 | 
| Homo sapiens | Serine/threonine-protein kinase 17A | 5.2 | 5.2 | 5.2 | pKd | 1 | 
| Homo sapiens | Serine/threonine-protein kinase 17B | 5.5 | 5.5 | 5.5 | pKd | 1 | 
| Homo sapiens | Serine/threonine-protein kinase 25 | 5.2 | 5.2 | 5.2 | pKd | 1 | 
| Homo sapiens | Serine/threonine-protein kinase Aurora-C | 5.1 | 5.1 | 5.1 | pKd | 1 | 
| Homo sapiens | Serine/threonine-protein kinase B-raf | 5.4 | 5.4 | 5.7 | pKd | 2 | 
| Homo sapiens | Serine/threonine-protein kinase DCLK1 | 7.2 | 7.2 | 7.2 | pKd | 1 | 
| Homo sapiens | Serine/threonine-protein kinase DCLK2 | 6.1 | 6.1 | 6.1 | pKd | 1 | 
| Homo sapiens | Serine/threonine-protein kinase DCLK3 | 6.6 | 6.6 | 6.6 | pKd | 1 | 
| Homo sapiens | Serine/threonine-protein kinase GAK | 7 | 7 | 7 | pKd | 1 | 
| Homo sapiens | Serine/threonine-protein kinase MST4 | 5.5 | 5.5 | 5.5 | pKd | 1 | 
| Homo sapiens | Serine/threonine-protein kinase Nek3 | 6 | 6 | 6 | pKd | 1 | 
| Homo sapiens | Serine/threonine-protein kinase NEK7 | 5.3 | 5.3 | 5.3 | pKd | 1 | 
| Homo sapiens | Serine/threonine-protein kinase OSR1 | 5.6 | 5.6 | 5.6 | pKd | 1 | 
| Homo sapiens | Serine/threonine-protein kinase PAK 4 | 5.8 | 5.8 | 5.8 | pKd | 1 | 
| Homo sapiens | Serine/threonine-protein kinase PAK6 | 5.5 | 5.5 | 5.5 | pKd | 1 | 
| Homo sapiens | Serine/threonine-protein kinase PAK7 | 5.9 | 5.9 | 5.9 | pKd | 1 | 
| Mycobacterium tuberculosis | Serine/threonine-protein kinase pknB | 5.4 | 5.4 | 5.4 | pKd | 1 | 
| Homo sapiens | Serine/threonine-protein kinase PLK1 | 6.9 | 6.9 | 6.9 | pKd | 1 | 
| Homo sapiens | Serine/threonine-protein kinase PLK2 | 5.8 | 5.8 | 5.8 | pKd | 1 | 
| Homo sapiens | Serine/threonine-protein kinase PLK3 | 6.2 | 6.2 | 6.2 | pKd | 1 | 
| Homo sapiens | Serine/threonine-protein kinase PLK4 | 6.7 | 6.7 | 6.7 | pKd | 1 | 
| Homo sapiens | Serine/threonine-protein kinase RIO1 | 5.6 | 5.6 | 5.6 | pKd | 1 | 
| Homo sapiens | Serine/threonine-protein kinase RIO2 | 5.9 | 5.9 | 5.9 | pKd | 1 | 
| Homo sapiens | Serine/threonine-protein kinase RIO3 | 5.7 | 5.7 | 5.7 | pKd | 1 | 
| Homo sapiens | Serine/threonine-protein kinase SBK1 | 5.9 | 5.9 | 5.9 | pKd | 1 | 
| Homo sapiens | Serine/threonine-protein kinase SIK3 | 5.9 | 5.9 | 5.9 | pKd | 1 | 
| Homo sapiens | Serine/threonine-protein kinase SRPK1 | 5.7 | 5.7 | 5.7 | pKd | 1 | 
| Homo sapiens | Serine/threonine-protein kinase SRPK3 | 5.5 | 5.5 | 5.5 | pKd | 1 | 
| Homo sapiens | Serine/threonine-protein kinase TAO1 | 5.9 | 5.9 | 5.9 | pKd | 1 | 
| Homo sapiens | Serine/threonine-protein kinase TAO2 | 6.5 | 6.5 | 6.5 | pKd | 1 | 
| Homo sapiens | Serine/threonine-protein kinase TAO3 | 6.2 | 6.2 | 6.2 | pKd | 1 | 
| Homo sapiens | Serine/threonine-protein kinase TBK1 | 5.8 | 5.8 | 5.8 | pKd | 1 | 
| Homo sapiens | Serine/threonine-protein kinase ULK1 | 6.5 | 6.5 | 6.5 | pKd | 1 | 
| Homo sapiens | Serine/threonine-protein kinase ULK2 | 6.7 | 6.7 | 6.7 | pKd | 1 | 
| Homo sapiens | Serine/threonine-protein kinase ULK3 | 5.6 | 5.6 | 5.6 | pKd | 1 | 
| Homo sapiens | SPS1/STE20-related protein kinase YSK4 | 6.6 | 6.6 | 6.6 | pKd | 1 | 
| Homo sapiens | STE20/SPS1-related proline-alanine-rich protein kinase | 5.7 | 5.7 | 5.7 | pKd | 1 | 
| Homo sapiens | Stem cell growth factor receptor | 5.2 | 5.2 | 5.2 | pKd | 3 | 
| Homo sapiens | Tyrosine kinase non-receptor protein 2 | 5.6 | 5.6 | 5.6 | pKd | 1 | 
| Homo sapiens | Tyrosine-protein kinase ABL | 5.5 | 5 | 6 | pKd | 8 | 
| Homo sapiens | Tyrosine-protein kinase JAK1 | 7.6 | 7.6 | 7.6 | pEC50 | 4 | 
| Homo sapiens | Tyrosine-protein kinase JAK1 | 8.5 | 6 | 9.4 | pIC50 | 28 | 
| Homo sapiens | Tyrosine-protein kinase JAK1 | 8.5 | 8.5 | 8.5 | pKd | 2 | 
| Homo sapiens | Tyrosine-protein kinase JAK1 | 9.7 | 9.7 | 10.1 | pKi | 6 | 
| Homo sapiens | Tyrosine-protein kinase JAK2 | 7.9 | 7.9 | 7.9 | pEC50 | 4 | 
| Homo sapiens | Tyrosine-protein kinase JAK2 | 8.2 | 5.3 | 10.3 | pIC50 | 38 | 
| Homo sapiens | Tyrosine-protein kinase JAK2 | 10.4 | 10.4 | 10.4 | pKd | 2 | 
| Homo sapiens | Tyrosine-protein kinase JAK2 | 10 | 9.6 | 10 | pKi | 6 | 
| Homo sapiens | Tyrosine-protein kinase JAK3 | 6.4 | 5.7 | 8.6 | pIC50 | 16 | 
| Homo sapiens | Tyrosine-protein kinase JAK3 | 8.7 | 8.7 | 8.7 | pKd | 2 | 
| Homo sapiens | Tyrosine-protein kinase JAK3 | 8.5 | 8.5 | 8.5 | pKi | 6 | 
| Homo sapiens | Tyrosine-protein kinase receptor RET | 6.2 | 6.1 | 6.7 | pKd | 4 | 
| Homo sapiens | Tyrosine-protein kinase TYK2 | 8 | 8 | 8 | pEC50 | 2 | 
| Homo sapiens | Tyrosine-protein kinase TYK2 | 7.7 | 7.5 | 9.4 | pIC50 | 10 | 
| Homo sapiens | Tyrosine-protein kinase TYK2 | 5.9 | 5.9 | 9.1 | pKd | 4 | 
| Homo sapiens | Tyrosine-protein kinase TYK2 | 9.3 | 9.3 | 9.3 | pKi | 8 | 
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 Q 853 | 2 Q 854 | 3 L 855 | 4 G 856 | 5 K 857 | 6 G 858 | 7 N 859 | 8 F 860 | 9 G 861 | 10 S 862 | 11 V 863 | 12 E 864 | 13 M 865 | 14 V 879 | 15 A 880 | 16 V 881 | 17 K 882 | 18 K 883 | 19 L 884 | 20 D 894 | 
| • | • | • | • | • | • | • | • | • | |||||||||||
| αC | b.l | IV | |||||||||||||||||
| 21 F 895 | 22 E 896 | 23 R 897 | 24 E 898 | 25 I 899 | 26 E 900 | 27 I 901 | 28 L 902 | 29 K 903 | 30 S 904 | 31 L 905 | 32 Q 906 | 33 D 908 | 34 N 909 | 35 I 910 | 36 V 911 | 37 K 912 | 38 Y 913 | 39 K 914 | 40 G 915 | 
| • | |||||||||||||||||||
| IV | V | GK | hinge | linker | αD | αE | |||||||||||||
| 41 V 916 | 42 K 926 | 43 L 927 | 44 I 928 | 45 M 929 | 46 E 930 | 47 Y 931 | 48 L 932 | 49 P 933 | 50 Y 934 | 51 G 935 | 52 S 936 | 53 L 937 | 54 R 938 | 55 D 939 | 56 Y 940 | 57 L 941 | 58 Q 942 | 59 K 943 | 60 Y 966 | 
| • | • | • | •• | ||||||||||||||||
| αE | VI | c.l | VII | VIII | x | ||||||||||||||
| 61 L 967 | 62 G 968 | 63 T 969 | 64 K 970 | 65 R 971 | 66 Y 972 | 67 I 973 | 68 H 974 | 69 R 975 | 70 D 976 | 71 L 977 | 72 A 978 | 73 T 979 | 74 R 980 | 75 N 981 | 76 I 982 | 77 L 983 | 78 V 984 | 79 I 992 | 80 G 993 | 
| • | • | • | • | ||||||||||||||||
| DFG | a.l | ||||||||||||||||||
| 81 D 994 | 82 F 995 | 83 G 996 | 84 L 997 | 85 T 998 | |||||||||||||||
| • | |||||||||||||||||||
Interaction pattern search
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