Discoidin domain receptor tyrosine kinase 1
Kinase structure
Kinase:DDR1
Family:DDR
Group:TK
Species:HUMAN
IUPHAR/BPS ID:1843
PDB:4BKJ
sc-PDB:
KIDFamMap:Search
Release date:2013-05-22
PubMed: 24768818
Chain:A
(Alternate) Model:B
Orthosteric ligand:STI
2D structure of the orthosteric ligand
Click to open a 3D viewer
The orthosteric binding pocket


More entries for 4BKJ
4BKJAlternative model: AChain: A
4BKJAlternative model: AChain: B
4BKJAlternative model: BChain: B


Structural information
DFG conformation:out
αC-helix conformation:in
G-rich loop angle (distance):64.7° (20Å)
G-rich loop rotation:62.2°
Quality Score:7.3
Resolution:1.7 Å
Missing Residues:0
Missing Atoms:19
Ligand binding mode
PocketsSubpocketsWaters
front
gate
back
BP-I-A
BP-I-B
BP-II-out
BP-IV
Cluster
I4
I7
O1
Ligand
No
No
Yes
Protein
Yes
Yes
No

Pocket alignment
Uniprot sequence:EKLGEGQFGEVHLVAVKILDFLKEVKIMSRLKPNIIRLLGVCMITDYMENGDLNQFLSAYLATLNFVHRDLATRNCLVIADFGMS
Sequence structure:EKLGEGQFGEVHLVAVKILDFLKEVKIMSRLKPNIIRLLGVCMITDYMENGDLNQFLSAYLATLNFVHRDLATRNCLVIADFGMS

Ligand affinity
ChEMBL ID:CHEMBL941
Bioaffinities: 228 records for 42 kinases
Species Kinase (ChEMBL naming) Median Min Max Type Records
Homo sapiensCell division cycle 2-like protein kinase 65.35.35.3pKd2
Homo sapiensc-Jun N-terminal kinase 15.35.35.5pKd3
Homo sapiensc-Jun N-terminal kinase 25.35.35.3pKd1
Homo sapiensc-Jun N-terminal kinase 35.55.55.5pKd3
Homo sapiensc-Jun N-terminal kinase 3666pKi1
Homo sapiensDiscoidin domain-containing receptor 26.26.26.9pIC502
Homo sapiensDiscoidin domain-containing receptor 27.87.87.8pKd2
Homo sapiensDual specificity protein kinase CLK45.75.45.7pKd4
Homo sapiensDual specificity protein kinase CLK45.95.95.9pKi1
Homo sapiensDual specificty protein kinase CLK15.45.45.4pKd3
Homo sapiensEphrin type-A receptor 85.95.75.9pKd3
Homo sapiensEpidermal growth factor receptor erbB15.15.15.1pKd2
Homo sapiensEpithelial discoidin domain-containing receptor 16.54.57.4pIC504
Homo sapiensEpithelial discoidin domain-containing receptor 19.29.29.2pKd2
Homo sapiensHomeodomain-interacting protein kinase 4666pKd1
Homo sapiensInterleukin-1 receptor-associated kinase 15.95.95.9pKd1
Homo sapiensInterleukin-1 receptor-associated kinase 15.15.15.1pKi1
Homo sapiensMacrophage colony stimulating factor receptor65.96.5pIC503
Homo sapiensMacrophage colony stimulating factor receptor7.77.78pKd2
Homo sapiensMacrophage colony stimulating factor receptor6.86.86.8pKi1
Homo sapiensMAP kinase p38 alpha444.9pIC502
Homo sapiensMaternal embryonic leucine zipper kinase5.75.75.7pKd2
Homo sapiensMixed lineage kinase 75.65.65.6pKd2
Homo sapiensPlatelet-derived growth factor receptor alpha7.17.17.1pEC501
Homo sapiensPlatelet-derived growth factor receptor alpha7.16.88.7pIC506
Homo sapiensPlatelet-derived growth factor receptor alpha7.57.57.5pKd2
Homo sapiensPlatelet-derived growth factor receptor alpha6.86.86.8pKi1
Homo sapiensPlatelet-derived growth factor receptor beta6.66.47.1pIC504
Homo sapiensPlatelet-derived growth factor receptor beta7.97.67.9pKd3
Homo sapiensPlatelet-derived growth factor receptor beta7.37.37.3pKi1
Rattus norvegicusPlatelet-derived growth factor receptor beta6.86.86.8pIC501
Homo sapiensSerine/threonine-protein kinase 17A5.35.35.6pKd3
Homo sapiensSerine/threonine-protein kinase B-raf5.55.55.5pKd2
Homo sapiensSerine/threonine-protein kinase GAK65.46pKd3
Homo sapiensSerine/threonine-protein kinase PLK45.15.15.1pKd3
Homo sapiensSerine/threonine-protein kinase RAF5.85.85.8pKd2
Homo sapiensSerine/threonine-protein kinase TAO15.45.45.4pKi1
Homo sapiensSerine/threonine-protein kinase TNNI3K5.45.45.4pKd2
Homo sapiensStem cell growth factor receptor777pEC501
Homo sapiensStem cell growth factor receptor757.8pIC5022
Homo sapiensStem cell growth factor receptor75.57.9pKd16
Homo sapiensTyrosine-protein kinase ABL6.74.17.7pIC5032
Homo sapiensTyrosine-protein kinase ABL7.45.29pKd26
Homo sapiensTyrosine-protein kinase ABL7.45.27.9pKi6
Mus musculusTyrosine-protein kinase ABL6.14.78pIC503
Homo sapiensTyrosine-protein kinase ABL26.66.66.6pIC501
Homo sapiensTyrosine-protein kinase ABL286.38.2pKd5
Homo sapiensTyrosine-protein kinase BLK6.36.36.3pKd2
Homo sapiensTyrosine-protein kinase FGR5.65.65.6pKd2
Homo sapiensTyrosine-protein kinase FRK5.85.55.8pKd3
Homo sapiensTyrosine-protein kinase FRK6.56.56.5pKi1
Homo sapiensTyrosine-protein kinase FYN5.55.35.5pKd3
Homo sapiensTyrosine-protein kinase LCK6.56.56.8pIC503
Homo sapiensTyrosine-protein kinase LCK7.47.27.4pKd3
Homo sapiensTyrosine-protein kinase LCK6.56.56.5pKi1
Homo sapiensTyrosine-protein kinase Lyn6.76.76.7pIC501
Homo sapiensTyrosine-protein kinase Lyn6.16.16.1pKd1
Homo sapiensTyrosine-protein kinase Lyn6.76.76.7pKi1
Homo sapiensTyrosine-protein kinase receptor FLT35.25.25.2pKd1
Gallus gallusTyrosine-protein kinase SRC5.65.65.6pIC501
Homo sapiensTyrosine-protein kinase SRC4.54.54.5pKi3
Homo sapiensTyrosine-protein kinase SYK5.35.35.3pIC501
Homo sapiensTyrosine-protein kinase SYK5.35.35.3pKi2
Homo sapiensTyrosine-protein kinase TYK25.15.15.1pKd2
Homo sapiensVascular endothelial growth factor receptor 24.64.64.6pIC502


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 E
614
2 K
615
3 L
616
4 G
617
5 E
618
6 G
619
7 Q
620
8 F
621
9 G
622
10 E
623
11 V
624
12 H
625
13 L
626
14 V
652
15 A
653
16 V
654
17 K
655
18 I
656
19 L
657
20 D
668
αC b.l IV
21 F
669
22 L
670
23 K
671
24 E
672
25 V
673
26 K
674
27 I
675
28 M
676
29 S
677
30 R
678
31 L
679
32 K
680
33 P
682
34 N
683
35 I
684
36 I
685
37 R
686
38 L
687
39 L
688
40 G
689
IV V GK hinge linker αD αE
41 V
690
42 C
698
43 M
699
44 I
700
45 T
701
46 D
702
47 Y
703
48 M
704
49 E
705
50 N
706
51 G
707
52 D
708
53 L
709
54 N
710
55 Q
711
56 F
712
57 L
713
58 S
714
59 A
715
60 Y
756
αE VI c.l VII VIII x
61 L
757
62 A
758
63 T
759
64 L
760
65 N
761
66 F
762
67 V
763
68 H
764
69 R
765
70 D
766
71 L
767
72 A
768
73 T
769
74 R
770
75 N
771
76 C
772
77 L
773
78 V
774
79 I
782
80 A
783
DFG a.l
81 D
784
82 F
785
83 G
786
84 M
787
85 S
788

Interaction pattern search
Search KLIFS for kinase-ligand complexes with similar interaction patterns:
Specify the minimum similarity (0.00 no similarity, 1.00 identical)