B-Raf proto-oncogene, serine/threonine kinase
Kinase structure
Kinase:BRAF
Family:RAF
Group:TKL
Species:HUMAN
IUPHAR/BPS ID:1943
PDB:5HI2
sc-PDB:
KIDFamMap:Search
Release date:2016-04-06
PubMed: 26996308
Chain:A
Orthosteric ligand:BAX
2D structure of the orthosteric ligand
Click to open a 3D viewer
The orthosteric binding pocket
Structural information
DFG conformation:out
αC-helix conformation:in
G-rich loop angle (distance):58.6° (18.4Å)
G-rich loop rotation:32.8°
Quality Score:7.2
Resolution:2.51 Å
Missing Residues:0
Missing Atoms:0
Ligand binding mode
PocketsSubpocketsWaters
front
gate
back
BP-I-B
BP-II-out
BP-III
Cluster
O1
Ligand
No
Protein
Yes

Pocket alignment
Uniprot sequence:QRIGSGSFGTVYKVAVKMLAFKNEVGVLRKTRVNILLFMGYAIVTQWCEGSSLYHHLHIYLHAKSIIHRDLKSNNIFLIGDFGLA
Sequence structure:QRIGSGSFGTVYKVAVKMLAFKNEVGVLRKTRVNILLFMGYAIVTQWCEGSSLYHHLHAYLHAKSIIHRDLKSNNIFLIGDFGLS

Ligand affinity
ChEMBL ID:CHEMBL1336
Bioaffinities: 631 records for 121 kinases
Species Kinase (ChEMBL naming) Median Min Max Type Records
Plasmodium falciparum (isolate 3D7)Calcium-dependent protein kinase 16.76.76.7pKd1
Homo sapiensCaM kinase II beta5.45.45.4pKi1
Homo sapiensCasein kinase I alpha6.66.66.6pIC501
Homo sapiensCell division cycle 2-like protein kinase 66.76.76.7pIC501
Homo sapiensCell division cycle 2-like protein kinase 66.66.66.6pKd3
Homo sapiensCell division protein kinase 85.85.36.7pIC503
Homo sapiensCell division protein kinase 86.56.56.5pKd3
Homo sapiensCell division protein kinase 87.17.17.1pKi1
Homo sapiensCitron Rho-interacting kinase5.25.25.2pKd3
Homo sapiensc-Jun N-terminal kinase 25.15.15.4pKd2
Homo sapiensCyclin-dependent kinase 25.15.15.1pKd1
Homo sapiensCyclin-dependent kinase 35.45.45.4pKd1
Homo sapiensCyclin-dependent kinase 55.15.15.2pKd2
Homo sapiensCyclin-dependent kinase 76.96.96.9pKd3
Homo sapiensCyclin-dependent kinase-like 26.96.96.9pKd2
Homo sapiensCyclin-dependent kinase-like 36.36.36.3pKd2
Homo sapiensDiscoidin domain-containing receptor 27.47.48.2pIC502
Homo sapiensDiscoidin domain-containing receptor 28.26.58.2pKd6
Homo sapiensDual specificity mitogen-activated protein kinase kinase 56.76.76.7pKd1
Homo sapiensDual specificity protein kinase TTK5.55.55.5pKd3
Homo sapiensDual-specificity tyrosine-phosphorylation regulated kinase 35.75.75.7pKi1
Homo sapiensDual specificty protein kinase CLK15.15.15.1pKd1
Homo sapiensEphrin type-A receptor 15.55.55.5pKd3
Homo sapiensEphrin type-A receptor 25.75.35.7pKd4
Homo sapiensEphrin type-A receptor 26.16.16.1pKi1
Homo sapiensEphrin type-A receptor 35.75.25.7pKd4
Homo sapiensEphrin type-A receptor 45.55.55.9pKd4
Homo sapiensEphrin type-A receptor 56.45.56.4pKd3
Homo sapiensEphrin type-A receptor 66.46.46.6pKd5
Homo sapiensEphrin type-A receptor 75.35.36.2pKd5
Homo sapiensEphrin type-A receptor 85.65.66pKd5
Homo sapiensEphrin type-B receptor 15.55.55.8pKd4
Homo sapiensEphrin type-B receptor 25.75.75.7pKd3
Homo sapiensEphrin type-B receptor 48.35.79.7pIC505
Homo sapiensEphrin type-B receptor 45.85.45.8pKd4
Homo sapiensEpidermal growth factor receptor erbB17.17.18.5pIC502
Homo sapiensEpithelial discoidin domain-containing receptor 18.88.88.8pKd4
Homo sapiensFibroblast growth factor receptor 16.26.28.3pIC502
Homo sapiensFibroblast growth factor receptor 15.65.65.6pKd4
Homo sapiensFibroblast growth factor receptor 25.65.65.6pKd3
Homo sapiensFibroblast growth factor receptor 35.25.25.4pKd4
Homo sapiensFibroblast growth factor receptor 35.95.95.9pKi1
Homo sapiensHomeodomain-interacting protein kinase 15.55.56pKd2
Homo sapiensHomeodomain-interacting protein kinase 25.85.85.8pKd2
Homo sapiensHomeodomain-interacting protein kinase 26.36.36.3pKi1
Homo sapiensHomeodomain-interacting protein kinase 36.46.46.4pKd2
Homo sapiensHomeodomain-interacting protein kinase 48.58.58.6pKd2
Homo sapiensHomeodomain-interacting protein kinase 4888pKi1
Homo sapiensInsulin receptor5.35.35.3pIC501
Homo sapiensInterleukin-1 receptor-associated kinase 15.15.15.1pKi1
Homo sapiensLIM domain kinase 15.85.75.8pKd4
Homo sapiensLIM domain kinase 16.26.26.2pKi1
Homo sapiensLIM domain kinase 2555pKd1
Homo sapiensMacrophage colony stimulating factor receptor7.27.27.7pIC502
Homo sapiensMacrophage colony stimulating factor receptor7.67.67.6pKd3
Homo sapiensMacrophage colony stimulating factor receptor6.86.86.8pKi1
Homo sapiensMAP kinase ERK17.77.77.7pIC501
Homo sapiensMAP kinase ERK2777pIC501
Homo sapiensMAP kinase-interacting serine/threonine-protein kinase MNK16.66.66.6pKd3
Homo sapiensMAP kinase p38 alpha7.15.57.4pIC507
Homo sapiensMAP kinase p38 alpha6.46.46.6pKd5
Homo sapiensMAP kinase p38 alpha7.87.87.8pKi1
Homo sapiensMAP kinase p38 beta6.66.66.7pKd5
Homo sapiensMAP kinase p38 delta5.25.25.2pKd2
Homo sapiensMAP kinase p38 gamma5.155.1pKd4
Homo sapiensMAP kinase signal-integrating kinase 26.66.66.6pIC501
Homo sapiensMAP kinase signal-integrating kinase 26.96.66.9pKd4
Homo sapiensMAP kinase signal-integrating kinase 26.56.56.5pKi1
Homo sapiensMisshapen-like kinase 15.85.85.8pKi1
Homo sapiensMitogen-activated protein kinase 157.37.37.3pKd3
Homo sapiensMitogen-activated protein kinase kinase kinase 76.25.96.2pKd4
Homo sapiensMitogen-activated protein kinase kinase kinase kinase 15.35.35.3pKd1
Homo sapiensMitogen-activated protein kinase kinase kinase kinase 45.35.35.3pKd3
Homo sapiensMitogen-activated protein kinase kinase kinase kinase 55.85.85.8pKd4
Homo sapiensMitogen-activated protein kinase kinase kinase kinase 56.56.56.5pKi1
Homo sapiensMixed lineage kinase 78.28.28.2pKd3
Homo sapiensMixed lineage kinase 77.87.87.8pKi1
Homo sapiensMuscle, skeletal receptor tyrosine protein kinase6.96.96.9pKd3
Homo sapiensMyosin-IIIB5.25.25.2pKd1
Homo sapiensMyosin light chain kinase555pKd1
Homo sapiensmyosin light chain kinase 25.35.35.9pKd2
Homo sapiensNerve growth factor receptor Trk-A5.25.25.4pKd4
Homo sapiensNerve growth factor receptor Trk-A5.85.85.8pKi1
Homo sapiensNeurotrophic tyrosine kinase receptor type 25.75.75.7pKd3
Homo sapiensNeurotrophic tyrosine kinase receptor type 26.26.26.2pKi1
Homo sapiensNon-receptor tyrosine-protein kinase TNK15.65.65.6pKd3
Homo sapiensNT-3 growth factor receptor6.26.26.2pKd3
Homo sapiensNT-3 growth factor receptor6.46.46.4pKi1
Homo sapiensPlatelet-derived growth factor receptor alpha7.27.27.2pKd3
Homo sapiensPlatelet-derived growth factor receptor alpha666pKi1
Homo sapiensPlatelet-derived growth factor receptor beta7.47.28pIC505
Homo sapiensPlatelet-derived growth factor receptor beta7.47.47.4pKd5
Homo sapiensPlatelet-derived growth factor receptor beta8.48.48.4pKi1
Homo sapiensProto-oncogene tyrosine-protein kinase MER5.45.45.4pKd3
Homo sapiensRibosomal protein S6 kinase 16.46.46.4pKi1
Homo sapiensRibosomal protein S6 kinase alpha 65.15.15.1pKd6
Homo sapiensSerine/threonine-protein kinase 106.86.86.9pKd5
Homo sapiensSerine/threonine-protein kinase 265.86pKd4
Homo sapiensSerine/threonine-protein kinase 25.85.85.8pKi1
Homo sapiensSerine/threonine-protein kinase 335.65.65.6pKd3
Homo sapiensSerine/threonine-protein kinase 365.45.35.4pKd4
Homo sapiensSerine/threonine-protein kinase A-Raf8.28.28.2pIC501
Homo sapiensSerine/threonine-protein kinase Aurora-A5.45.45.4pIC504
Homo sapiensSerine/threonine-protein kinase Aurora-A6.16.16.1pKi1
Homo sapiensSerine/threonine-protein kinase Aurora-B6.46.46.4pKd3
Homo sapiensSerine/threonine-protein kinase Aurora-B6.76.76.7pKi1
Homo sapiensSerine/threonine-protein kinase Aurora-C6.76.76.7pKd3
Homo sapiensSerine/threonine-protein kinase B-raf8.58.58.5pEC501
Homo sapiensSerine/threonine-protein kinase B-raf7.45.19pIC5043
Homo sapiensSerine/threonine-protein kinase B-raf6.66.36.6pKd7
Homo sapiensSerine/threonine-protein kinase B-raf7.47.47.7pKi2
Mus musculusSerine/threonine-protein kinase B-raf6.96.96.9pIC501
Homo sapiensSerine/threonine protein kinase NLK6.26.26.2pKd3
Homo sapiensSerine/threonine-protein kinase PCTAIRE-25.85.85.8pKd3
Homo sapiensSerine/threonine-protein kinase PFTAIRE-15.55.55.5pKd3
Homo sapiensSerine/threonine-protein kinase PFTAIRE-25.55.55.5pKd2
Homo sapiensSerine/threonine-protein kinase PLK45.45.45.5pKd4
Homo sapiensSerine/threonine-protein kinase PLK46.46.46.4pKi1
Homo sapiensSerine/threonine-protein kinase RAF7.96.49pIC5022
Homo sapiensSerine/threonine-protein kinase RAF6.66.66.6pKd3
Homo sapiensSerine/threonine-protein kinase RAF8.28.28.2pKi1
Homo sapiensSerine/threonine-protein kinase RIPK25.45.45.4pIC501
Homo sapiensSerine/threonine-protein kinase RIPK25.95.55.9pKd4
Homo sapiensSerine/threonine-protein kinase SRPK15.35.35.3pKi1
Homo sapiensSerine/threonine-protein kinase TAO15.55.56.3pKd2
Homo sapiensSerine/threonine-protein kinase TAO16.46.46.4pKi1
Homo sapiensSerine/threonine-protein kinase TAO26.36.36.3pKd1
Homo sapiensSerine/threonine-protein kinase TAO35.65.65.6pKd2
Homo sapiensSerine/threonine-protein kinase TNNI3K6.66.66.6pKd3
Homo sapiensSPS1/STE20-related protein kinase YSK4777pKd2
Homo sapiensStem cell growth factor receptor7.27.28pIC504
Homo sapiensStem cell growth factor receptor7.56.18pKd23
Homo sapiensTGF-beta receptor type II5.25.25.2pKd1
Homo sapiensTRAF2- and NCK-interacting kinase5.15.15.1pKd1
Homo sapiensTyrosine-protein kinase ABL6.96.97.1pIC502
Homo sapiensTyrosine-protein kinase ABL6.25.26.9pKd40
Homo sapiensTyrosine-protein kinase ABL6.86.86.8pKi1
Mus musculusTyrosine-protein kinase ABL6.76.76.7pIC501
Homo sapiensTyrosine-protein kinase ABL25.55.55.9pKd4
Homo sapiensTyrosine-protein kinase BLK6.16.16.1pKi1
Homo sapiensTyrosine-protein kinase CSK5.55.55.5pKd1
Homo sapiensTyrosine-protein kinase FGR5.15.15.1pKd1
Homo sapiensTyrosine-protein kinase FRK6.36.36.4pKd5
Homo sapiensTyrosine-protein kinase FYN5.15.15.1pKd1
Homo sapiensTyrosine-protein kinase HCK6.36.36.3pIC502
Homo sapiensTyrosine-protein kinase HCK5.15.15.1pKd2
Homo sapiensTyrosine-protein kinase JAK35.15.15.1pKd2
Homo sapiensTyrosine-protein kinase LCK7.27.27.2pIC501
Homo sapiensTyrosine-protein kinase LCK5.65.25.6pKd4
Homo sapiensTyrosine-protein kinase Lyn5.55.55.5pKd3
Homo sapiensTyrosine-protein kinase Lyn6.46.46.4pKi1
Homo sapiensTyrosine-protein kinase receptor FLT37.57.28.7pIC5013
Homo sapiensTyrosine-protein kinase receptor FLT37.87.18.4pKd23
Homo sapiensTyrosine-protein kinase receptor RET8.18.18.2pIC502
Homo sapiensTyrosine-protein kinase receptor RET7.97.48.1pKd10
Homo sapiensTyrosine-protein kinase receptor RET777pKi1
Homo sapiensTyrosine-protein kinase receptor Tie-17.27.27.2pKd3
Homo sapiensTyrosine-protein kinase receptor UFO5.45.45.4pKd3
Homo sapiensTyrosine-protein kinase receptor UFO6.86.86.8pKi1
Homo sapiensTyrosine-protein kinase SRC6.46.46.4pIC501
Homo sapiensTyrosine-protein kinase Srms555pKd3
Homo sapiensTyrosine-protein kinase TIE-28.28.19.1pIC503
Homo sapiensTyrosine-protein kinase TIE-25.75.55.7pKd4
Homo sapiensVascular endothelial growth factor receptor 17.56.87.8pIC503
Homo sapiensVascular endothelial growth factor receptor 17.57.57.5pKd3
Homo sapiensVascular endothelial growth factor receptor 16.56.56.5pKi1
Danio rerioVascular endothelial growth factor receptor 25.65.65.6pIC501
Homo sapiensVascular endothelial growth factor receptor 26.36.36.3pEC501
Homo sapiensVascular endothelial growth factor receptor 27.269.8pIC5050
Homo sapiensVascular endothelial growth factor receptor 27.277.5pKd6
Homo sapiensVascular endothelial growth factor receptor 27.77.410.7pKi4
Mus musculusVascular endothelial growth factor receptor 27.87.87.8pIC501
Homo sapiensVascular endothelial growth factor receptor 37.87.88.5pIC502
Homo sapiensVascular endothelial growth factor receptor 3777.8pKd5
Homo sapiensVascular endothelial growth factor receptor 3777pKi1


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
461
2 R
462
3 I
463
4 G
464
5 S
465
6 G
466
7 S
467
8 F
468
9 G
469
10 T
470
11 V
471
12 Y
472
13 K
473
14 V
480
15 A
481
16 V
482
17 K
483
18 M
484
19 L
485
20 A
497
αC b.l IV
21 F
498
22 K
499
23 N
500
24 E
501
25 V
502
26 G
503
27 V
504
28 L
505
29 R
506
30 K
507
31 T
508
32 R
509
33 V
511
34 N
512
35 I
513
36 L
514
37 L
515
38 F
516
39 M
517
40 G
518
IV V GK hinge linker αD αE
41 Y
519
42 A
526
43 I
527
44 V
528
45 T
529
46 Q
530
47 W
531
48 C
532
49 E
533
50 G
534
51 S
535
52 S
536
53 L
537
54 Y
538
55 H
539
56 H
540
57 L
541
58 H
542
59 A
543
60 Y
566
αE VI c.l VII VIII x
61 L
567
62 H
568
63 A
569
64 K
570
65 S
571
66 I
572
67 I
573
68 H
574
69 R
575
70 D
576
71 L
577
72 K
578
73 S
579
74 N
580
75 N
581
76 I
582
77 F
583
78 L
584
79 I
592
80 G
593
DFG a.l
81 D
594
82 F
595
83 G
596
84 L
597
85 S
616

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