B-Raf proto-oncogene, serine/threonine kinase
Kinase structure
Kinase:BRAF
Family:RAF
Group:TKL
Species:HUMAN
IUPHAR/BPS ID:1943
PDB:5CT7
sc-PDB:
KIDFamMap:Search
Release date:2015-09-09
PubMed: 26396681
Chain:A
Orthosteric ligand:55J
2D structure of the orthosteric ligand
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The orthosteric binding pocket


More entries for 5CT7
5CT7Chain: B


Structural information
DFG conformation:out
αC-helix conformation:in
G-rich loop angle (distance):56.3° (17.6Å)
G-rich loop rotation:28.3°
Quality Score:8.6
Resolution:3.17 Å
Missing Residues:0
Missing Atoms:6
Ligand binding mode
PocketsSubpockets
front
gate
back
BP-I-B
BP-II-out
BP-III

Pocket alignment
Uniprot sequence:QRIGSGSFGTVYKVAVKMLAFKNEVGVLRKTRVNILLFMGYAIVTQWCEGSSLYHHLHIYLHAKSIIHRDLKSNNIFLIGDFGLA
Sequence structure:QRIGSGSFGTVYKVAVKMLAFKNEVGVLRKTRVNILLFMGYAIVTQWCEGSSLYHHLHIYLHAKSIIHRDLKSNNIFLIGDFGLA

Ligand affinity
ChEMBL ID:CHEMBL558752
Bioaffinities: 157 records for 65 kinases
Species Kinase (ChEMBL naming) Median Min Max Type Records
Homo sapiensAMP-activated protein kinase, alpha-1 subunit5.45.45.4pKd2
Homo sapiensCell division cycle 2-like protein kinase 65.35.35.3pKd2
Homo sapiensCitron Rho-interacting kinase7.17.17.1pKd2
Homo sapiensDiscoidin domain-containing receptor 2666pKd2
Homo sapiensDual specificity mitogen-activated protein kinase kinase 55.75.75.7pKd1
Homo sapiensEphrin type-A receptor 15.15.15.1pKd1
Homo sapiensEphrin type-A receptor 25.55.55.5pKd2
Homo sapiensEphrin type-A receptor 45.15.15.1pKd1
Homo sapiensEphrin type-A receptor 65.85.85.8pKd2
Homo sapiensEphrin type-A receptor 8666pKd2
Homo sapiensEpithelial discoidin domain-containing receptor 17.97.97.9pKd2
Homo sapiensEukaryotic translation initiation factor 2-alpha kinase 47.37.37.3pKd2
Homo sapiensFibroblast growth factor receptor 15.35.35.3pKd2
Homo sapiensHepatocyte growth factor receptor5.25.25.9pKd2
Homo sapiensHomeodomain-interacting protein kinase 46.36.36.3pKd1
Homo sapiensInterferon-induced, double-stranded RNA-activated protein kinase666pKd2
Homo sapiensMacrophage colony stimulating factor receptor6.66.66.6pKd2
Homo sapiensMitogen-activated protein kinase kinase kinase 11555pKd1
Homo sapiensMitogen-activated protein kinase kinase kinase 76.36.36.3pKd1
Homo sapiensMitogen-activated protein kinase kinase kinase kinase 25.35.35.3pKd1
Homo sapiensMitogen-activated protein kinase kinase kinase kinase 35.15.15.1pKd1
Homo sapiensMitogen-activated protein kinase kinase kinase kinase 45.95.95.9pKd2
Homo sapiensMitogen-activated protein kinase kinase kinase kinase 56.16.16.1pKd2
Homo sapiensMixed lineage kinase 77.27.27.2pKd2
Homo sapiensNon-receptor tyrosine-protein kinase TNK15.25.25.2pKd1
Homo sapiensPlatelet-derived growth factor receptor alpha666pKd2
Homo sapiensPlatelet-derived growth factor receptor beta8.28.28.2pIC501
Homo sapiensPlatelet-derived growth factor receptor beta6.66.66.6pKd2
Homo sapiensReceptor-interacting serine/threonine-protein kinase 15.35.35.3pKd1
Homo sapiensSerine/threonine-protein kinase 107.27.27.2pKd2
Homo sapiensSerine/threonine-protein kinase 26.36.36.3pKd2
Homo sapiensSerine/threonine-protein kinase 255.25.25.2pKd1
Homo sapiensSerine/threonine-protein kinase 365.15.15.1pKd1
Homo sapiensSerine/threonine-protein kinase B-raf7.46.99.3pIC506
Homo sapiensSerine/threonine-protein kinase B-raf5.95.96.5pKd4
Homo sapiensSerine/threonine-protein kinase Nek55.55.55.5pKd2
Homo sapiensSerine/threonine-protein kinase PAK 36.16.16.1pKd1
Homo sapiensSerine/threonine-protein kinase RAF5.95.97.7pIC502
Homo sapiensSerine/threonine-protein kinase RAF6.46.46.4pKd2
Homo sapiensSerine/threonine-protein kinase RIPK2666pKd2
Homo sapiensSerine/threonine-protein kinase TAO15.45.45.4pKd1
Homo sapiensSerine/threonine-protein kinase TAO26.96.96.9pKd1
Homo sapiensSerine/threonine-protein kinase TAO36.16.16.1pKd1
Homo sapiensSerine/threonine-protein kinase TNNI3K5.25.25.2pKd2
Homo sapiensSPS1/STE20-related protein kinase YSK47.37.37.3pKd1
Homo sapiensStem cell growth factor receptor7.77.77.7pIC501
Homo sapiensStem cell growth factor receptor6.65.17.1pKd15
Homo sapiensTRAF2- and NCK-interacting kinase5.85.85.8pKd2
Homo sapiensTyrosine-protein kinase ABL5.85.16.7pKd18
Homo sapiensTyrosine-protein kinase ABL25.75.75.7pKd2
Homo sapiensTyrosine-protein kinase BLK5.15.15.1pKd1
Homo sapiensTyrosine-protein kinase BRK5.45.45.4pKd2
Homo sapiensTyrosine-protein kinase FER5.15.15.1pKd1
Homo sapiensTyrosine-protein kinase FRK6.26.26.2pKd2
Homo sapiensTyrosine-protein kinase FYN5.75.75.7pKd2
Homo sapiensTyrosine-protein kinase HCK5.95.95.9pKd2
Homo sapiensTyrosine-protein kinase LCK6.26.26.2pKd2
Homo sapiensTyrosine-protein kinase Lyn6.46.46.4pKd2
Homo sapiensTyrosine-protein kinase receptor FLT35.95.96.1pKd3
Homo sapiensTyrosine-protein kinase receptor RET6.86.57.1pKd6
Homo sapiensTyrosine-protein kinase receptor Tie-16.86.86.8pKd2
Homo sapiensTyrosine-protein kinase SRC666pKd2
Homo sapiensTyrosine-protein kinase SYK5.45.45.4pKd1
Homo sapiensTyrosine-protein kinase TIE-25.95.95.9pKd2
Homo sapiensTyrosine-protein kinase TYK26.46.46.4pKd2
Homo sapiensTyrosine-protein kinase YES666pKd2
Homo sapiensVascular endothelial growth factor receptor 16.16.16.1pKd2
Homo sapiensVascular endothelial growth factor receptor 25.95.95.9pIC501
Homo sapiensVascular endothelial growth factor receptor 25.95.95.9pKd2
Homo sapiensVascular endothelial growth factor receptor 35.75.75.7pKd2


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 I
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 A
598

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