eF-site ID 4daw-A
PDB Code 4daw
Chain A

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Title Crystal structure of PAK1 kinase domain with the ruthenium phthalimide complex
Classification TRANSFERASE/TRANSFERASE INHIBITOR
Compound Serine/threonine-protein kinase PAK 1
Source Homo sapiens (Human) (PAK1_HUMAN)
Sequence A:  SDEEILEKLRSIVSVGDPKKKYTRFEKIGQGASGTVYTAM
DVATGQEVAIRQMNLQQQPKKELIINEILVMRENKNPNIV
NYLDSYLVGDELWVVMEYLAGGSLTDVVTETCMDEGQIAA
VCRECLQALEFLHSNQVIHRDIKSDNILLGMDGSVKLTDF
GFCAQITPEQSKRSXMVGTPYWMAPEVVTRKAYGPKVDIW
SLGIMAIEMIEGEPPYLNENPLRALYLIATNGTPELQNPE
KLSAIFRDFLNRCLEMDVEKRGSAKELLQHQFLKIAKPLS
SLTPLIAAAKEATK
Description


Functional site

1) chain A
residue 276
type
sequence I
description BINDING SITE FOR RESIDUE 0H2 A 601
source : AC1

2) chain A
residue 281
type
sequence S
description BINDING SITE FOR RESIDUE 0H2 A 601
source : AC1

3) chain A
residue 282
type
sequence G
description BINDING SITE FOR RESIDUE 0H2 A 601
source : AC1

4) chain A
residue 284
type
sequence V
description BINDING SITE FOR RESIDUE 0H2 A 601
source : AC1

5) chain A
residue 297
type
sequence A
description BINDING SITE FOR RESIDUE 0H2 A 601
source : AC1

6) chain A
residue 299
type
sequence R
description BINDING SITE FOR RESIDUE 0H2 A 601
source : AC1

7) chain A
residue 328
type
sequence V
description BINDING SITE FOR RESIDUE 0H2 A 601
source : AC1

8) chain A
residue 344
type
sequence M
description BINDING SITE FOR RESIDUE 0H2 A 601
source : AC1

9) chain A
residue 345
type
sequence E
description BINDING SITE FOR RESIDUE 0H2 A 601
source : AC1

10) chain A
residue 346
type
sequence Y
description BINDING SITE FOR RESIDUE 0H2 A 601
source : AC1

11) chain A
residue 347
type
sequence L
description BINDING SITE FOR RESIDUE 0H2 A 601
source : AC1

12) chain A
residue 396
type
sequence L
description BINDING SITE FOR RESIDUE 0H2 A 601
source : AC1

13) chain A
residue 406
type
sequence T
description BINDING SITE FOR RESIDUE 0H2 A 601
source : AC1

14) chain A
residue 407
type
sequence D
description BINDING SITE FOR RESIDUE 0H2 A 601
source : AC1

15) chain A
residue 389
type ACT_SITE
sequence D
description Proton acceptor => ECO:0000269|PubMed:22153498
source Swiss-Prot : SWS_FT_FI1

16) chain A
residue 285
type MOD_RES
sequence Y
description Phosphotyrosine; by JAK2 => ECO:0000269|PubMed:17726028, ECO:0000269|PubMed:17989089
source Swiss-Prot : SWS_FT_FI3

17) chain A
residue 276
type BINDING
sequence I
description BINDING => ECO:0000269|PubMed:22153498
source Swiss-Prot : SWS_FT_FI2

18) chain A
residue 299
type BINDING
sequence R
description BINDING => ECO:0000269|PubMed:22153498
source Swiss-Prot : SWS_FT_FI2

19) chain A
residue 345
type BINDING
sequence E
description BINDING => ECO:0000269|PubMed:22153498
source Swiss-Prot : SWS_FT_FI2

20) chain A
residue 385-397
type prosite
sequence VIHRDIKSDNILL
description PROTEIN_KINASE_ST Serine/Threonine protein kinases active-site signature. ViHrDIKsdNILL
source prosite : PS00108

21) chain A
residue 423
type MOD_RES
sequence X
description Phosphothreonine; by autocatalysis, BRSK2 and PDPK1 => ECO:0000269|PubMed:10551809, ECO:0000269|PubMed:10995762, ECO:0000269|PubMed:22153498, ECO:0000269|PubMed:22669945
source Swiss-Prot : SWS_FT_FI4


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