eF-site ID 5vgo-A
PDB Code 5vgo
Chain A

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Title Bruton's tyrosine kinase (BTK) with compound G-744
Classification Transferase/Transferase Inhibitor
Compound Tyrosine-protein kinase BTK
Source Homo sapiens (Human) (BTK_HUMAN)
Sequence A:  SWEIDPKDLTFLKELGTGQFGVVKYGKWRGQYDVAIKMIK
EGSMSEDEFIEEAKVMMNLSHEKLVQLYGVCTKQRPIFII
TEYMANGCLLNYLREMRHRFQTQQLLEMCKDVCEAMEYLE
SKQFLHRDLAARNCLVNDQGVVKVSDFGLSRYVLDDEYTS
SVGSKFPVRWSPPEVLMYSKFSSKSDIWAFGVLMWEIYSL
GKMPYERFTNSETAEHIAQGLRLYRPHLASEKVYTIMYSC
WHEKADERPTFKILLSNILDVMDEN
Description


Functional site

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

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

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

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

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

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

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

8) chain A
residue 443
type
sequence I
description binding site for residue GOL A 703
source : AC3

9) chain A
residue 444
type
sequence E
description binding site for residue GOL A 703
source : AC3

10) chain A
residue 562
type
sequence R
description binding site for residue GOL A 703
source : AC3

11) chain A
residue 596
type
sequence M
description binding site for residue GOL A 703
source : AC3

12) chain A
residue 600
type
sequence R
description binding site for residue GOL A 703
source : AC3

13) chain A
residue 601
type
sequence F
description binding site for residue GOL A 703
source : AC3

14) chain A
residue 602
type
sequence T
description binding site for residue GOL A 703
source : AC3

15) chain A
residue 520
type
sequence R
description binding site for residue GOL A 704
source : AC4

16) chain A
residue 543
type
sequence S
description binding site for residue GOL A 704
source : AC4

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

18) chain A
residue 559
type
sequence F
description binding site for residue GOL A 704
source : AC4

19) chain A
residue 560
type
sequence P
description binding site for residue GOL A 704
source : AC4

20) chain A
residue 574
type
sequence F
description binding site for residue GOL A 704
source : AC4

21) chain A
residue 425
type
sequence Y
description binding site for residue PG0 A 705
source : AC5

22) chain A
residue 461
type
sequence Y
description binding site for residue PG0 A 705
source : AC5

23) chain A
residue 468
type
sequence R
description binding site for residue PG0 A 706
source : AC6

24) chain A
residue 480
type
sequence G
description binding site for residue PG0 A 706
source : AC6

25) chain A
residue 481
type
sequence C
description binding site for residue PG0 A 706
source : AC6

26) chain A
residue 484
type
sequence N
description binding site for residue PG0 A 706
source : AC6

27) chain A
residue 408
type
sequence L
description binding site for residue 9B1 A 707
source : AC7

28) chain A
residue 411
type
sequence G
description binding site for residue 9B1 A 707
source : AC7

29) chain A
residue 413
type
sequence F
description binding site for residue 9B1 A 707
source : AC7

30) chain A
residue 416
type
sequence V
description binding site for residue 9B1 A 707
source : AC7

31) chain A
residue 428
type
sequence A
description binding site for residue 9B1 A 707
source : AC7

32) chain A
residue 430
type
sequence K
description binding site for residue 9B1 A 707
source : AC7

33) chain A
residue 474
type
sequence T
description binding site for residue 9B1 A 707
source : AC7

34) chain A
residue 475
type
sequence E
description binding site for residue 9B1 A 707
source : AC7

35) chain A
residue 476
type
sequence Y
description binding site for residue 9B1 A 707
source : AC7

36) chain A
residue 477
type
sequence M
description binding site for residue 9B1 A 707
source : AC7

37) chain A
residue 478
type
sequence A
description binding site for residue 9B1 A 707
source : AC7

38) chain A
residue 480
type
sequence G
description binding site for residue 9B1 A 707
source : AC7

39) chain A
residue 526
type
sequence N
description binding site for residue 9B1 A 707
source : AC7

40) chain A
residue 528
type
sequence L
description binding site for residue 9B1 A 707
source : AC7

41) chain A
residue 539
type
sequence D
description binding site for residue 9B1 A 707
source : AC7

42) chain A
residue 551
type
sequence Y
description binding site for residue 9B1 A 707
source : AC7

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

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

45) chain A
residue 487
type ACT_SITE
sequence R
description Proton acceptor => ECO:0000255|PROSITE-ProRule:PRU00159, ECO:0000255|PROSITE-ProRule:PRU10028
source Swiss-Prot : SWS_FT_FI1

46) chain A
residue 396
type BINDING
sequence E
description BINDING => ECO:0000255|PROSITE-ProRule:PRU00159
source Swiss-Prot : SWS_FT_FI2

47) chain A
residue 440
type BINDING
sequence D
description BINDING => ECO:0000269|PubMed:20052711, ECO:0007744|PDB:3K54, ECO:0007744|PDB:3OCT
source Swiss-Prot : SWS_FT_FI3

48) chain A
residue 508
type BINDING
sequence A
description BINDING => ECO:0000269|PubMed:21280133, ECO:0007744|PDB:3PIY
source Swiss-Prot : SWS_FT_FI4

49) chain A
residue 517
type MOD_RES
sequence F
description Phosphotyrosine; by LYN and SYK => ECO:0000269|PubMed:8630736, ECO:0000269|PubMed:9012831
source Swiss-Prot : SWS_FT_FI5

50) chain A
residue 570
type MOD_RES
sequence M
description Phosphoserine => ECO:0007744|PubMed:23186163
source Swiss-Prot : SWS_FT_FI6

51) chain A
residue 583
type MOD_RES
sequence F
description Phosphotyrosine => ECO:0000269|PubMed:15375214
source Swiss-Prot : SWS_FT_FI7

52) chain A
residue 589
type MOD_RES
sequence E
description Phosphoserine => ECO:0000269|PubMed:15375214
source Swiss-Prot : SWS_FT_FI8

53) chain A
residue 625
type MOD_RES
sequence K
description Phosphoserine => ECO:0007744|PubMed:19369195
source Swiss-Prot : SWS_FT_FI9


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