eF-site ID 2f4j-A
PDB Code 2f4j
Chain A

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Title Structure of the Kinase Domain of an Imatinib-Resistant Abl Mutant in Complex with the Aurora Kinase Inhibitor VX-680
Classification TRANSFERASE
Compound Proto-oncogene tyrosine-protein kinase ABL1
Source (NP_005148)
Sequence A:  GMSPNYDKWEMERTDITMKHKLGGGQYGEVYEGVWKKYSL
TVAVKTLKEDTMEVEEFLKEAAVMKEIKHPNLVQLLGVCT
REPPFYIITEFMTYGNLLDYLRECNRQEVNAVVLLYMATQ
ISSAMEYLEKKNFIHRDLAARNCLVGENHLVKVADFGLSR
LMTGDTYTAPAGAKFPIKWTAPESLAYNKFSIKSDVWAFG
VLLWEIATYGMSPYPGIDLSQVYELLEKDYRMERPEGCPE
KVYELMRACWQWNPSDRPSFAEIHQAFETMFQESSISDEV
EKELGKQ
Description


Functional site

1) chain A
residue 249
type
sequence G
description BINDING SITE FOR RESIDUE VX6 A 514
source : AC1

2) chain A
residue 253
type
sequence Y
description BINDING SITE FOR RESIDUE VX6 A 514
source : AC1

3) chain A
residue 256
type
sequence V
description BINDING SITE FOR RESIDUE VX6 A 514
source : AC1

4) chain A
residue 269
type
sequence A
description BINDING SITE FOR RESIDUE VX6 A 514
source : AC1

5) chain A
residue 271
type
sequence K
description BINDING SITE FOR RESIDUE VX6 A 514
source : AC1

6) chain A
residue 286
type
sequence E
description BINDING SITE FOR RESIDUE VX6 A 514
source : AC1

7) chain A
residue 315
type
sequence T
description BINDING SITE FOR RESIDUE VX6 A 514
source : AC1

8) chain A
residue 316
type
sequence E
description BINDING SITE FOR RESIDUE VX6 A 514
source : AC1

9) chain A
residue 317
type
sequence F
description BINDING SITE FOR RESIDUE VX6 A 514
source : AC1

10) chain A
residue 318
type
sequence M
description BINDING SITE FOR RESIDUE VX6 A 514
source : AC1

11) chain A
residue 319
type
sequence T
description BINDING SITE FOR RESIDUE VX6 A 514
source : AC1

12) chain A
residue 321
type
sequence G
description BINDING SITE FOR RESIDUE VX6 A 514
source : AC1

13) chain A
residue 370
type
sequence L
description BINDING SITE FOR RESIDUE VX6 A 514
source : AC1

14) chain A
residue 381
type
sequence D
description BINDING SITE FOR RESIDUE VX6 A 514
source : AC1

15) chain A
residue 363
type ACT_SITE
sequence D
description Proton acceptor => ECO:0000255|PROSITE-ProRule:PRU00159, ECO:0000255|PROSITE-ProRule:PRU10028
source Swiss-Prot : SWS_FT_FI1

16) chain A
residue 248
type BINDING
sequence L
description
source Swiss-Prot : SWS_FT_FI2

17) chain A
residue 271
type BINDING
sequence K
description
source Swiss-Prot : SWS_FT_FI2

18) chain A
residue 316
type BINDING
sequence E
description
source Swiss-Prot : SWS_FT_FI2

19) chain A
residue 229
type MOD_RES
sequence S
description Phosphoserine => ECO:0000250|UniProtKB:P42684
source Swiss-Prot : SWS_FT_FI3

20) chain A
residue 253
type MOD_RES
sequence Y
description Phosphotyrosine => ECO:0007744|PubMed:23186163
source Swiss-Prot : SWS_FT_FI4

21) chain A
residue 257
type MOD_RES
sequence Y
description Phosphotyrosine => ECO:0007744|PubMed:23186163
source Swiss-Prot : SWS_FT_FI4

22) chain A
residue 413
type MOD_RES
sequence Y
description Phosphotyrosine => ECO:0007744|PubMed:23186163
source Swiss-Prot : SWS_FT_FI4

23) chain A
residue 393
type MOD_RES
sequence Y
description Phosphotyrosine; by autocatalysis and SRC-type Tyr-kinases => ECO:0000269|PubMed:16912036
source Swiss-Prot : SWS_FT_FI5

24) chain A
residue 446
type MOD_RES
sequence S
description Phosphoserine => ECO:0000250|UniProtKB:P00520
source Swiss-Prot : SWS_FT_FI6

25) chain A
residue 248-271
type prosite
sequence LGGGQYGEVYEGVWKKYSLTVAVK
description PROTEIN_KINASE_ATP Protein kinases ATP-binding region signature. LGGGQYGEVYeGvwkkyslt..........VAVK
source prosite : PS00107

26) chain A
residue 359-371
type prosite
sequence FIHRDLAARNCLV
description PROTEIN_KINASE_TYR Tyrosine protein kinases specific active-site signature. FIHrDLAARNCLV
source prosite : PS00109


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