Janus kinase 1
Kinase structure
Kinase:JAK1
Family:JakA
Group:TK
Species:HUMAN
IUPHAR/BPS ID:2047
PDB:3EYG
sc-PDB:
KIDFamMap:Search
Release date:2009-02-03
PubMed: 19361440
Chain:A
(Alternate) Model:B
Orthosteric ligand:MI1
2D structure of the orthosteric ligand
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The orthosteric binding pocket


More entries for 3EYG
3EYGAlternative model: AChain: A


Structural information
DFG conformation:in
αC-helix conformation:in
G-rich loop angle (distance):47.4° (14.6Å)
G-rich loop rotation:59.7°
Quality Score:8
Resolution:1.9 Å
Missing Residues:0
Missing Atoms:0
Ligand binding mode
PocketsSubpocketsWaters
front
FP-I
FP-II
Cluster
I1
I2
I4
I5
I7
I11
Ligand
No
No
No
No
Yes
No
Protein
Yes
Yes
No
Yes
No
Yes

Pocket alignment
Uniprot sequence:RDLGEGHFGKVELVAVKSLDLKKEIEILRNLYENIVKYKGIKLIMEFLPSGSLKEYLPKYLGSRQYVHRDLAARNVLVIGDFGLT
Sequence structure:RDLGEGHFGKVELVAVKSLDLKKEIEILRNLYENIVKYKGIKLIMEFLPSGSLKEYLPKYLGSRQYVHRDLAARNVLVIGDFGLT

Ligand affinity
ChEMBL ID:CHEMBL221959
Bioaffinities: 382 records for 35 kinases
Species Kinase (ChEMBL naming) Median Min Max Type Records
Homo sapiensBMP-2-inducible protein kinase5.25.25.2pKd1
Homo sapiensCaM kinase I alpha5.35.35.9pKd3
Homo sapiensCaM kinase I delta5.85.85.8pKd1
Homo sapiensCaM kinase II alpha5.55.55.5pKd1
Homo sapiensCaM kinase II delta5.65.65.6pKd1
Homo sapiensG protein-coupled receptor kinase 75.45.45.4pKd1
Homo sapiensLeucine-rich repeat serine/threonine-protein kinase 25.95.96.3pKd2
Homo sapiensMAP kinase signal-integrating kinase 25.85.85.8pKd1
Homo sapiensMitogen-activated protein kinase kinase kinase kinase 25.35.35.3pKd1
Homo sapiensMyotonin-protein kinase5.95.95.9pKd1
Homo sapiensNon-receptor tyrosine-protein kinase TNK16.26.26.9pKd3
Homo sapiensNUAK family SNF1-like kinase 26.46.46.6pKd3
Homo sapiensProtein kinase C delta5.75.75.7pKd1
Homo sapiensProtein kinase N16.76.76.8pKd3
Homo sapiensProtein kinase N25.95.95.9pKd1
Homo sapiensRho-associated protein kinase 16.36.36.3pKd1
Homo sapiensRho-associated protein kinase 25.55.55.5pIC502
Homo sapiensRho-associated protein kinase 26.46.46.4pKd1
Homo sapiensRibosomal protein S6 kinase alpha 15.95.95.9pKd2
Homo sapiensRibosomal protein S6 kinase alpha 25.95.96.2pKd6
Homo sapiensRibosomal protein S6 kinase alpha 65.95.96.3pKd6
Homo sapiensSerine/threonine-protein kinase DCLK15.25.25.2pKd1
Homo sapiensSerine/threonine-protein kinase DCLK38.47.98.4pKd3
Homo sapiensSerine/threonine-protein kinase MST25.45.45.4pKd2
Mycobacterium tuberculosisSerine/threonine-protein kinase pknB5.75.75.7pKd1
Homo sapiensSerine/threonine-protein kinase ULK35.25.25.2pKd1
Homo sapiensTyrosine-protein kinase ABL5.45.25.7pKd3
Homo sapiensTyrosine-protein kinase FYN666pKd1
Homo sapiensTyrosine-protein kinase JAK17.37.37.4pEC5010
Homo sapiensTyrosine-protein kinase JAK18.56.99.3pIC5058
Homo sapiensTyrosine-protein kinase JAK18.88.88.8pKd4
Homo sapiensTyrosine-protein kinase JAK19.29.29.2pKi8
Homo sapiensTyrosine-protein kinase JAK276.77pEC508
Homo sapiensTyrosine-protein kinase JAK27.95.39.2pIC5088
Homo sapiensTyrosine-protein kinase JAK28.38.39.2pKd8
Homo sapiensTyrosine-protein kinase JAK29.299.2pKi8
Mus musculusTyrosine-protein kinase JAK25.75.75.7pIC501
Homo sapiensTyrosine-protein kinase JAK38.75.99.6pIC5062
Homo sapiensTyrosine-protein kinase JAK38.78.79.8pKd8
Homo sapiensTyrosine-protein kinase JAK39.499.6pKi10
Mus musculusTyrosine-protein kinase JAK36.86.87.3pIC504
Homo sapiensTyrosine-protein kinase LCK5.45.45.4pIC502
Homo sapiensTyrosine-protein kinase LCK5.85.86.3pKd2
Homo sapiensTyrosine-protein kinase receptor RET5.55.55.5pKd1
Homo sapiensTyrosine-protein kinase TYK26.26.26.2pEC504
Homo sapiensTyrosine-protein kinase TYK27.55.98.4pIC5026
Homo sapiensTyrosine-protein kinase TYK26.26.28.3pKd8
Homo sapiensTyrosine-protein kinase TYK28.18.18.4pKi8


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 R
879
2 D
880
3 L
881
4 G
882
5 E
883
6 G
884
7 H
885
8 F
886
9 G
887
10 K
888
11 V
889
12 E
890
13 L
891
14 V
905
15 A
906
16 V
907
17 K
908
18 S
909
19 L
910
20 D
921
αC b.l IV
21 L
922
22 K
923
23 K
924
24 E
925
25 I
926
26 E
927
27 I
928
28 L
929
29 R
930
30 N
931
31 L
932
32 Y
933
33 E
935
34 N
936
35 I
937
36 V
938
37 K
939
38 Y
940
39 K
941
40 G
942
IV V GK hinge linker αD αE
41 I
943
42 K
953
43 L
954
44 I
955
45 M
956
46 E
957
47 F
958
48 L
959
49 P
960
50 S
961
51 G
962
52 S
963
53 L
964
54 K
965
55 E
966
56 Y
967
57 L
968
58 P
969
59 K
970
60 Y
993
αE VI c.l VII VIII x
61 L
994
62 G
995
63 S
996
64 R
997
65 Q
998
66 Y
999
67 V
1000
68 H
1001
69 R
1002
70 D
1003
71 L
1004
72 A
1005
73 A
1006
74 R
1007
75 N
1008
76 V
1009
77 L
1010
78 V
1011
79 I
1019
80 G
1020
DFG a.l
81 D
1021
82 F
1022
83 G
1023
84 L
1024
85 T
1025

Interaction pattern search
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