KLIFS - the kinase structures database

Version: 3.2
Updated: 29-Oct-2025

Kinase structure
Kinase:	BTK
Family:	Tec
Group:	TK
Species:	HUMAN
IUPHAR/BPS ID:	1948
PDB:	5P9I
sc-PDB:
KIDFamMap:	Search
Release date:	2017-05-24
PubMed:	28062735
Chain:	A
(Alternate) Model:	B
Orthosteric ligand:	1E8

More entries for 5P9I
5P9I	Alternative model:	A	Chain:	A
5P9I	Alternative model:	C	Chain:	A

Structural information
DFG conformation:	in
αC-helix conformation:	out
G-rich loop angle (distance):	55.5° (16Å)
G-rich loop rotation:	57.3°
Quality Score:	8.6
Resolution:	1.11 Å
Missing Residues:	0
Missing Atoms:	14

Ligand binding mode
Pockets	Subpockets	Waters
front gate	BP-I-B	Cluster I3 I7	Ligand No Yes	Protein Yes No

Pocket alignment
Uniprot sequence:	KELGTGQFGVVKYVAIKMIEFIEEAKVMMNLSEKLVQLYGVFIITEYMANGCLLNYLREYLESKQFLHRDLAARNCLVVSDFGLS
Sequence structure:	KELGTGQFGVVKYVAIKMIEFIEEAKVMMNLSEKLVQLYGVFIITEYMANGCLLNYLREYLESKQFLHRDLAARNCLVVSDFGLS

Ligand affinity
ChEMBL ID:	CHEMBL1873475
Bioaffinities:	121 records for 23 kinases

Species	Kinase (ChEMBL naming)	Median	Min	Max	Type	Records
Homo sapiens	Epidermal growth factor receptor erbB1	8.7	6.4	9.3	pIC50	11
Homo sapiens	Fibroblast growth factor receptor 2	6.6	6.6	6.6	pIC50	1
Homo sapiens	Receptor protein-tyrosine kinase erbB-2	8	8	8.8	pIC50	4
Homo sapiens	Receptor protein-tyrosine kinase erbB-4	8.7	8	10	pIC50	4
Homo sapiens	Tyrosine-protein kinase ABL	7.1	7.1	7.1	pIC50	2
Homo sapiens	Tyrosine-protein kinase BLK	9.3	9.3	9.3	pIC50	4
Homo sapiens	Tyrosine-protein kinase BMX	9.1	8.1	9.1	pIC50	6
Homo sapiens	Tyrosine-protein kinase BRK	8.5	8.5	8.5	pIC50	2
Homo sapiens	Tyrosine-protein kinase BTK	9.3	6.8	10	pIC50	39
Homo sapiens	Tyrosine-protein kinase BTK	8.3	8.3	8.3	pKi	1
Homo sapiens	Tyrosine-protein kinase CSK	8.7	8.7	8.7	pIC50	2
Homo sapiens	Tyrosine-protein kinase FER	5.1	5.1	5.1	pIC50	2
Homo sapiens	Tyrosine-protein kinase FGR	8.6	8.6	8.6	pIC50	2
Homo sapiens	Tyrosine-protein kinase FYN	7	7	7	pIC50	2
Homo sapiens	Tyrosine-protein kinase HCK	8.4	8.4	8.4	pIC50	2
Homo sapiens	Tyrosine-protein kinase ITK/TSK	7.9	7.9	8	pIC50	6
Homo sapiens	Tyrosine-protein kinase JAK3	8	6.8	8	pIC50	12
Homo sapiens	Tyrosine-protein kinase LCK	8.7	8.7	8.7	pIC50	4
Homo sapiens	Tyrosine-protein kinase Lyn	7.8	6.7	7.8	pIC50	3
Homo sapiens	Tyrosine-protein kinase receptor RET	7.4	7.4	8.3	pIC50	2
Homo sapiens	Tyrosine-protein kinase SRC	6.6	6.6	6.6	pIC50	2
Homo sapiens	Tyrosine-protein kinase TEC	8.2	7.1	9.3	pIC50	5
Homo sapiens	Tyrosine-protein kinase TXK	8.5	8.5	8.5	pIC50	1
Homo sapiens	Tyrosine-protein kinase YES	8.2	8.2	8.2	pIC50	2

Kinase-ligand interaction pattern

• Hydrophobic • Aromatic face-to-face • Aromatic face-to-edge • H-bond donor • H-bond acceptor • Ionic positive • Ionic negative

g.l

III

αC

1 K
406

2 E
407

3 L
408

4 G
409

5 T
410

6 G
411

7 Q
412

8 F
413

9 G
414

10 V
415

11 V
416

12 K
417

13 Y
418

14 V
427

15 A
428

16 I
429

17 K
430

18 M
431

19 I
432

20 E
441

•

αC

b.l

21 F
442

22 I
443

23 E
444

24 E
445

25 A
446

26 K
447

27 V
448

28 M
449

29 M
450

30 N
451

31 L
452

32 S
453

33 E
455

34 K
456

35 L
457

36 V
458

37 Q
459

38 L
460

39 Y
461

40 G
462

•

hinge

linker

αD

αE

41 V
463

42 F
471

43 I
472

44 I
473

45 T
474

46 E
475

47 Y
476

48 M
477

49 A
478

50 N
479

51 G
480

52 C
481

53 L
482

54 L
483

55 N
484

56 Y
485

57 L
486

58 R
487

59 E
488

60 Y
511

•

••

•

αE

c.l

VII

VIII

61 L
512

62 E
513

63 S
514

64 K
515

65 Q
516

66 F
517

67 L
518

68 H
519

69 R
520

70 D
521

71 L
522

72 A
523

73 A
524

74 R
525

75 N
526

76 C
527

77 L
528

78 V
529

79 V
537

80 S
538

•

DFG

a.l

81 D
539

82 F
540

83 G
541

84 L
542

85 S
543

•

••

•

Interaction pattern search

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