eF-site ID 6bkw-A
PDB Code 6bkw
Chain A

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Title BTK complex with compound 12
Classification TRANSFERASE
Compound Tyrosine-protein kinase BTK
Source (BTK_HUMAN)
Sequence A:  GSWEIDPKDLTFLKELGTGQFGVVKYGKWRGQYDVAIKMI
KEGSMSEDEFIEEAKVMMNLSHEKLVQLYGVCTKQRPIFI
ITEYMANGXLLNYLREMRHRFQTQQLLEMCKDVCEAMEYL
ESKQFLHRDLAARNCLVNDQGVVKVSDFGLSRYVLDDEYT
SSVGSKFPVRWSPPEVLMYSKFSSKSDIWAFGVLMWEIYS
LGKMPYERFTNSETAEHIAQGLRLYRPHLASEKVYTIMYS
CWHEKADERPTFKILLSNILDVMDEN
Description (1)  Tyrosine-protein kinase BTK (E.C.2.7.10.2)


Functional site

1) chain A
residue 466
type
sequence K
description binding site for residue SO4 A 701
source : AC1

2) chain A
residue 487
type
sequence R
description binding site for residue SO4 A 701
source : AC1

3) chain A
residue 490
type
sequence R
description binding site for residue SO4 A 701
source : AC1

4) chain A
residue 595
type
sequence K
description binding site for residue SO4 A 701
source : AC1

5) chain A
residue 592
type
sequence S
description binding site for residue SO4 A 702
source : AC2

6) chain A
residue 595
type
sequence K
description binding site for residue SO4 A 702
source : AC2

7) chain A
residue 617
type
sequence Y
description binding site for residue SO4 A 702
source : AC2

8) chain A
residue 619
type
sequence P
description binding site for residue SO4 A 702
source : AC2

9) chain A
residue 620
type
sequence H
description binding site for residue SO4 A 702
source : AC2

10) chain A
residue 490
type
sequence R
description binding site for residue SO4 A 703
source : AC3

11) chain A
residue 491
type
sequence H
description binding site for residue SO4 A 703
source : AC3

12) chain A
residue 637
type
sequence K
description binding site for residue SO4 A 703
source : AC3

13) chain A
residue 408
type
sequence L
description binding site for residue DXM A 704
source : AC4

14) chain A
residue 410
type
sequence T
description binding site for residue DXM A 704
source : AC4

15) chain A
residue 411
type
sequence G
description binding site for residue DXM A 704
source : AC4

16) chain A
residue 413
type
sequence F
description binding site for residue DXM A 704
source : AC4

17) chain A
residue 416
type
sequence V
description binding site for residue DXM A 704
source : AC4

18) chain A
residue 428
type
sequence A
description binding site for residue DXM A 704
source : AC4

19) chain A
residue 430
type
sequence K
description binding site for residue DXM A 704
source : AC4

20) chain A
residue 474
type
sequence T
description binding site for residue DXM A 704
source : AC4

21) chain A
residue 475
type
sequence E
description binding site for residue DXM A 704
source : AC4

22) chain A
residue 476
type
sequence Y
description binding site for residue DXM A 704
source : AC4

23) chain A
residue 477
type
sequence M
description binding site for residue DXM A 704
source : AC4

24) chain A
residue 478
type
sequence A
description binding site for residue DXM A 704
source : AC4

25) chain A
residue 480
type
sequence G
description binding site for residue DXM A 704
source : AC4

26) chain A
residue 526
type
sequence N
description binding site for residue DXM A 704
source : AC4

27) chain A
residue 528
type
sequence L
description binding site for residue DXM A 704
source : AC4

28) chain A
residue 539
type
sequence D
description binding site for residue DXM A 704
source : AC4

29) chain A
residue 551
type
sequence Y
description binding site for residue DXM A 704
source : AC4

30) chain A
residue 395
type
sequence W
description binding site for residue FPZ A 705
source : AC5

31) chain A
residue 421
type
sequence W
description binding site for residue FPZ A 705
source : AC5

32) chain A
residue 425
type
sequence Y
description binding site for residue FPZ A 705
source : AC5

33) chain A
residue 426
type
sequence D
description binding site for residue FPZ A 705
source : AC5

34) chain A
residue 461
type
sequence Y
description binding site for residue FPZ A 705
source : AC5

35) chain A
residue 598
type
sequence Y
description binding site for residue FPZ A 705
source : AC5

36) chain A
residue 614
type
sequence L
description binding site for residue FPZ A 705
source : AC5

37) chain A
residue 615
type
sequence R
description binding site for residue FPZ A 705
source : AC5

38) chain A
residue 616
type
sequence L
description binding site for residue FPZ A 705
source : AC5

39) chain A
residue 617
type
sequence Y
description binding site for residue FPZ A 705
source : AC5

40) chain A
residue 418
type
sequence Y
description binding site for residue GOL A 706
source : AC6

41) chain A
residue 476
type
sequence Y
description binding site for residue GOL A 706
source : AC6

42) chain A
residue 618
type
sequence R
description binding site for residue GOL A 707
source : AC7

43) chain A
residue 620
type
sequence H
description binding site for residue GOL A 707
source : AC7

44) chain A
residue 621
type
sequence L
description binding site for residue GOL A 707
source : AC7

45) chain A
residue 622
type
sequence A
description binding site for residue GOL A 707
source : AC7

46) chain A
residue 604
type MOD_RES
sequence S
description Phosphoserine => ECO:0007744|PubMed:23186163
source Swiss-Prot : SWS_FT_FI6

47) chain A
residue 623
type MOD_RES
sequence S
description Phosphoserine => ECO:0000269|PubMed:15375214
source Swiss-Prot : SWS_FT_FI8

48) chain A
residue 551
type MOD_RES
sequence Y
description Phosphotyrosine; by LYN and SYK => ECO:0000269|PubMed:8630736, ECO:0000269|PubMed:9012831
source Swiss-Prot : SWS_FT_FI5

49) chain A
residue 617
type MOD_RES
sequence Y
description Phosphotyrosine => ECO:0000269|PubMed:15375214
source Swiss-Prot : SWS_FT_FI7

50) chain A
residue 408-430
type prosite
sequence LGTGQFGVVKYGKWRGQYDVAIK
description PROTEIN_KINASE_ATP Protein kinases ATP-binding region signature. LGTGQFGVVKyGkwrgqyd...........VAIK
source prosite : PS00107

51) chain A
residue 517-529
type prosite
sequence FLHRDLAARNCLV
description PROTEIN_KINASE_TYR Tyrosine protein kinases specific active-site signature. FLHrDLAARNCLV
source prosite : PS00109

52) chain A
residue 521
type ACT_SITE
sequence D
description Proton acceptor => ECO:0000255|PROSITE-ProRule:PRU00159, ECO:0000255|PROSITE-ProRule:PRU10028
source Swiss-Prot : SWS_FT_FI1

53) chain A
residue 408
type BINDING
sequence L
description BINDING => ECO:0000255|PROSITE-ProRule:PRU00159
source Swiss-Prot : SWS_FT_FI2

54) chain A
residue 430
type BINDING
sequence K
description BINDING => ECO:0000255|PROSITE-ProRule:PRU00159
source Swiss-Prot : SWS_FT_FI2

55) chain A
residue 474
type BINDING
sequence T
description BINDING => ECO:0000269|PubMed:20052711, ECO:0007744|PDB:3K54, ECO:0007744|PDB:3OCT
source Swiss-Prot : SWS_FT_FI3

56) chain A
residue 542
type BINDING
sequence L
description BINDING => ECO:0000269|PubMed:21280133, ECO:0007744|PDB:3PIY
source Swiss-Prot : SWS_FT_FI4


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