eF-site ID 5p9j-A
PDB Code 5p9j
Chain A

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Title BTK1 COCRYSTALLIZED WITH IBRUTINIB
Classification TRANSFERASE
Compound Tyrosine-protein kinase BTK
Source Homo sapiens (Human) (BTK_HUMAN)
Sequence A:  SWEIDPKDLTFLKELGTGQFGVVKYGKWRGQYDVAIKMIK
EGSMSEDEFIEEAKVMMNLSHEKLVQLYGVCTKQRPIFII
TEYMANGCLLNYLREMRHRFQTQQLLEMCKDVCEAMEYLE
SKQFLHRDLAARNCLVNDQGVVKVSDFGLSRYVLDDEYTG
SKFPVRWSPPEVLMYSKFSSKSDIWAFGVLMWEIYSLGKM
PYERFTNSETAEHIAQGLRLYRPHLASEKVYTIMYSCWHE
KADERPTFKILLSNILDVMDEES
Description


Functional site

1) chain A
residue 408
type
sequence L
description binding site for residue 8E8 A 701
source : AC1

2) chain A
residue 428
type
sequence A
description binding site for residue 8E8 A 701
source : AC1

3) chain A
residue 430
type
sequence K
description binding site for residue 8E8 A 701
source : AC1

4) chain A
residue 449
type
sequence M
description binding site for residue 8E8 A 701
source : AC1

5) chain A
residue 474
type
sequence T
description binding site for residue 8E8 A 701
source : AC1

6) chain A
residue 475
type
sequence E
description binding site for residue 8E8 A 701
source : AC1

7) chain A
residue 477
type
sequence M
description binding site for residue 8E8 A 701
source : AC1

8) chain A
residue 480
type
sequence G
description binding site for residue 8E8 A 701
source : AC1

9) chain A
residue 481
type
sequence C
description binding site for residue 8E8 A 701
source : AC1

10) chain A
residue 484
type
sequence N
description binding site for residue 8E8 A 701
source : AC1

11) chain A
residue 528
type
sequence L
description binding site for residue 8E8 A 701
source : AC1

12) chain A
residue 538
type
sequence S
description binding site for residue 8E8 A 701
source : AC1

13) chain A
residue 539
type
sequence D
description binding site for residue 8E8 A 701
source : AC1

14) chain A
residue 540
type
sequence F
description binding site for residue 8E8 A 701
source : AC1

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

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

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

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

19) 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

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

21) 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

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

23) 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

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

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


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