4FF8 - chain A | TYRO3 protein tyrosine kinase 3
Structure information
PDB:4FF8
PubMed:23312472
Release date:2013-03-13
Resolution:2.4 Å
 
Kinase:Tyro3 (TYRO3)
Family:Axl
Group:TK
Species:MOUSE
 
Quality Score:4
Missing Residues:37
Missing Atoms:0
DFG conformation:na
αC-helix conformation:na
Salt bridge KIII.17 and EαC.24:NA
 
 
ASP rotation (xDFG.81) :°
PHE rotation (xDFG.82) :180°
Activation loop position:0Å
αC-helix position:0Å
 
G-rich loop angle:-
G-rich loop distance:-
G-rich loop rotation:-
2D & 3D views

The orthosteric binding pocket
Binding pocket waters
No waters were found in the defined clusters
Binding pocket sequence
UniprotRMLGKGEFGSVREVAVKMLEFLREAACMKEFDPHVAKLVGVMVILPFMKHGDLHAFLLAYLSSRNFIHRDLAARNCMLVADFGLS
Structure:____________________________KEFDPHVAKL____VILPFMKHGDLHAFLLAYLSSRNFIHRDLAARNCMLVA_____


Modified residues
No modified residues identified.
Orthosteric ligand
2D structure of the orthosteric ligand
Ligand HET-code: 14S
Ligand Name: 4-(cyclopentylamino)-2-[(2-methoxybenzyl)amino]-N-[3-(2-oxopyrrolidin-1-yl)propyl]pyrimidine-5-carboxamide

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  • LABELS
  • KLIFS residue #
  • Amino Acid
  • None
  • COLORS
  • Interaction types
  • KLIFS (all res.)
  • KLIFS (interacting res.)
  • None
  • OTHER
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This ligand targets the following (sub)pockets:
Main pockets
Front

Gate

Back

Subpockets
FP-I

FP-II

BP-I-A

BP-I-B

BP-II-in

BP-II-A-in

BP-II-B-in

BP-II-out

BP-II-B

BP-III

BP-IV

BP-V

Kinase-ligand interactions
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 _
_
2 _
_
3 _
_
4 _
_
5 _
_
6 _
_
7 _
_
8 _
_
9 _
_
10 _
_
11 _
_
12 _
_
13 _
_
14 _
_
15 _
_
16 _
_
17 _
_
18 _
_
19 _
_
20 _
_
αC b.l IV
21 _
_
22 _
_
23 _
_
24 _
_
25 _
_
26 _
_
27 _
_
28 _
_
29 K
563
30 E
564
31 F
565
32 D
566
33 P
568
34 H
569
35 V
570
36 A
571
37 K
572
38 L
573
39 _
_
40 _
_
IV V GK hinge linker αD αE
41 _
_
42 _
_
43 V
574
44 I
592
45 L
593
46 P
594
47 F
595
48 M
596
49 K
597
50 H
598
51 G
599
52 D
600
53 L
601
54 H
602
55 A
603
56 F
604
57 L
605
58 L
606
59 A
607
60 Y
635
αE VI c.l VII VIII x
61 L
636
62 S
637
63 S
638
64 R
639
65 N
640
66 F
641
67 I
642
68 H
643
69 R
644
70 D
645
71 L
646
72 A
647
73 A
648
74 R
649
75 N
650
76 C
651
77 M
652
78 L
653
79 V
661
80 A
662
DFG a.l
81 _
_
82 _
_
83 _
_
84 _
_
85 _
_

Interaction pattern search
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Binding affinities
ChEMBL ID:CHEMBL2312301
Bioaffinities: 5 records for 4 kinase(s)

Species Kinase (ChEMBL naming) Median Min Max Type Records
Homo sapiensHepatocyte growth factor receptor5.45.45.4pIC501
Homo sapiensProto-oncogene tyrosine-protein kinase MER5.35.35.3pIC501
Homo sapiensTyrosine-protein kinase receptor TYRO36.46.46.4pIC502
Homo sapiensTyrosine-protein kinase receptor UFO5.25.25.2pIC501