eF-site ID 2in6-A
PDB Code 2in6
Chain A

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Title Wee1 kinase complex with inhibitor PD311839
Classification TRANSFERASE
Compound Wee1-like protein kinase
Source Homo sapiens (Human) (WEE1_HUMAN)
Sequence A:  MKSRYTTEFHELEKIGSGEFGSVFKCVKRLDGCIYAIKRS
KKPSVDEQNALREVYAHAVLGQHSHVVRYFSAWAEDDHML
IQNEYCNGGSLADAISENYRIMSYFKEAELKDLLLQVGRG
LRYIHSMSLVHMDIKPSNIFISKVMFKIGDLGHVTRISSP
QVEEGDSRFLANEVLQENYTHLPKADIFALALTVVCAAGA
EPLPRNGDQWHEIRQGRLPRIPQVLSQEFTELLKVMIHPD
PERRPSAMALVKHSVL
Description (1)  Wee1-like protein kinase (E.C.2.7.10.2)


Functional site

1) chain A
residue 305
type
ligand
sequence I
description BINDING SITE FOR RESIDUE 839 A 901
source : AC1

2) chain A
residue 326
type
ligand
sequence A
description BINDING SITE FOR RESIDUE 839 A 901
source : AC1

3) chain A
residue 328
type
ligand
sequence K
description BINDING SITE FOR RESIDUE 839 A 901
source : AC1

4) chain A
residue 346
type
ligand
sequence E
description BINDING SITE FOR RESIDUE 839 A 901
source : AC1

5) chain A
residue 360
type
ligand
sequence V
description BINDING SITE FOR RESIDUE 839 A 901
source : AC1

6) chain A
residue 376
type
ligand
sequence N
description BINDING SITE FOR RESIDUE 839 A 901
source : AC1

7) chain A
residue 377
type
ligand
sequence E
description BINDING SITE FOR RESIDUE 839 A 901
source : AC1

8) chain A
residue 378
type
ligand
sequence Y
description BINDING SITE FOR RESIDUE 839 A 901
source : AC1

9) chain A
residue 379
type
ligand
sequence C
description BINDING SITE FOR RESIDUE 839 A 901
source : AC1

10) chain A
residue 382
type
ligand
sequence G
description BINDING SITE FOR RESIDUE 839 A 901
source : AC1

11) chain A
residue 430
type
ligand
sequence S
description BINDING SITE FOR RESIDUE 839 A 901
source : AC1

12) chain A
residue 433
type
ligand
sequence F
description BINDING SITE FOR RESIDUE 839 A 901
source : AC1

13) chain A
residue 463
type
ligand
sequence D
description BINDING SITE FOR RESIDUE 839 A 901
source : AC1

14) chain A
residue 422-434
type prosite
ligand
sequence LVHMDIKPSNIFI
description Serine/Threonine protein kinases active-site signature. [LIVMFYC]-x-[HY]-x-D-[LIVMFY]-K-x(2)-N-[LIVMFYCT](3)
source prosite : PS00108

15) chain A
residue 305-328
type prosite
ligand
sequence IGSGEFGSVFKCVKRLDGCIYAIK
description Protein kinases ATP-binding region signature. [LIV]-G-{P}-G-{P}-[FYWMGSTNH]-[SGA]-{PW}-[LIVCAT]-{PD}-x-[GSTACLIVMFY]
source prosite : PS00107

16) chain A
residue 305-307
type binding
ligand 839: 3-(9-HYDROXY-1,3-DIOXO-4-PHENYL-2,3-DIHYDROPYRROLO[3,4-C]CARBAZOL-6(1H)-YL)PROPANOIC ACID
sequence IGS
description 3-(9-HYDROXY-1,3-DIOXO-4-PHENYL-2,3-DIHYDROPYRROLO[3,4-C]CARBAZOL-6(1H)-YL)PROPANOIC ACID binding site
source pdb_hetatom : 839_2in6_A_901

17) chain A
residue 313
type binding
ligand 839: 3-(9-HYDROXY-1,3-DIOXO-4-PHENYL-2,3-DIHYDROPYRROLO[3,4-C]CARBAZOL-6(1H)-YL)PROPANOIC ACID
sequence V
description 3-(9-HYDROXY-1,3-DIOXO-4-PHENYL-2,3-DIHYDROPYRROLO[3,4-C]CARBAZOL-6(1H)-YL)PROPANOIC ACID binding site
source pdb_hetatom : 839_2in6_A_901

18) chain A
residue 326
type binding
ligand 839: 3-(9-HYDROXY-1,3-DIOXO-4-PHENYL-2,3-DIHYDROPYRROLO[3,4-C]CARBAZOL-6(1H)-YL)PROPANOIC ACID
sequence A
description 3-(9-HYDROXY-1,3-DIOXO-4-PHENYL-2,3-DIHYDROPYRROLO[3,4-C]CARBAZOL-6(1H)-YL)PROPANOIC ACID binding site
source pdb_hetatom : 839_2in6_A_901

19) chain A
residue 328
type binding
ligand 839: 3-(9-HYDROXY-1,3-DIOXO-4-PHENYL-2,3-DIHYDROPYRROLO[3,4-C]CARBAZOL-6(1H)-YL)PROPANOIC ACID
sequence K
description 3-(9-HYDROXY-1,3-DIOXO-4-PHENYL-2,3-DIHYDROPYRROLO[3,4-C]CARBAZOL-6(1H)-YL)PROPANOIC ACID binding site
source pdb_hetatom : 839_2in6_A_901

20) chain A
residue 346
type binding
ligand 839: 3-(9-HYDROXY-1,3-DIOXO-4-PHENYL-2,3-DIHYDROPYRROLO[3,4-C]CARBAZOL-6(1H)-YL)PROPANOIC ACID
sequence E
description 3-(9-HYDROXY-1,3-DIOXO-4-PHENYL-2,3-DIHYDROPYRROLO[3,4-C]CARBAZOL-6(1H)-YL)PROPANOIC ACID binding site
source pdb_hetatom : 839_2in6_A_901

21) chain A
residue 360
type binding
ligand 839: 3-(9-HYDROXY-1,3-DIOXO-4-PHENYL-2,3-DIHYDROPYRROLO[3,4-C]CARBAZOL-6(1H)-YL)PROPANOIC ACID
sequence V
description 3-(9-HYDROXY-1,3-DIOXO-4-PHENYL-2,3-DIHYDROPYRROLO[3,4-C]CARBAZOL-6(1H)-YL)PROPANOIC ACID binding site
source pdb_hetatom : 839_2in6_A_901

22) chain A
residue 374
type binding
ligand 839: 3-(9-HYDROXY-1,3-DIOXO-4-PHENYL-2,3-DIHYDROPYRROLO[3,4-C]CARBAZOL-6(1H)-YL)PROPANOIC ACID
sequence I
description 3-(9-HYDROXY-1,3-DIOXO-4-PHENYL-2,3-DIHYDROPYRROLO[3,4-C]CARBAZOL-6(1H)-YL)PROPANOIC ACID binding site
source pdb_hetatom : 839_2in6_A_901

23) chain A
residue 376-383
type binding
ligand 839: 3-(9-HYDROXY-1,3-DIOXO-4-PHENYL-2,3-DIHYDROPYRROLO[3,4-C]CARBAZOL-6(1H)-YL)PROPANOIC ACID
sequence NEYCNGGS
description 3-(9-HYDROXY-1,3-DIOXO-4-PHENYL-2,3-DIHYDROPYRROLO[3,4-C]CARBAZOL-6(1H)-YL)PROPANOIC ACID binding site
source pdb_hetatom : 839_2in6_A_901

24) chain A
residue 430
type binding
ligand 839: 3-(9-HYDROXY-1,3-DIOXO-4-PHENYL-2,3-DIHYDROPYRROLO[3,4-C]CARBAZOL-6(1H)-YL)PROPANOIC ACID
sequence S
description 3-(9-HYDROXY-1,3-DIOXO-4-PHENYL-2,3-DIHYDROPYRROLO[3,4-C]CARBAZOL-6(1H)-YL)PROPANOIC ACID binding site
source pdb_hetatom : 839_2in6_A_901

25) chain A
residue 433
type binding
ligand 839: 3-(9-HYDROXY-1,3-DIOXO-4-PHENYL-2,3-DIHYDROPYRROLO[3,4-C]CARBAZOL-6(1H)-YL)PROPANOIC ACID
sequence F
description 3-(9-HYDROXY-1,3-DIOXO-4-PHENYL-2,3-DIHYDROPYRROLO[3,4-C]CARBAZOL-6(1H)-YL)PROPANOIC ACID binding site
source pdb_hetatom : 839_2in6_A_901

26) chain A
residue 463
type binding
ligand 839: 3-(9-HYDROXY-1,3-DIOXO-4-PHENYL-2,3-DIHYDROPYRROLO[3,4-C]CARBAZOL-6(1H)-YL)PROPANOIC ACID
sequence D
description 3-(9-HYDROXY-1,3-DIOXO-4-PHENYL-2,3-DIHYDROPYRROLO[3,4-C]CARBAZOL-6(1H)-YL)PROPANOIC ACID binding site
source pdb_hetatom : 839_2in6_A_901

27) chain A
residue 426
type catalytic
ligand
sequence D
description Annotated By Reference To The Literature 1ir3
source CSA : CSA1

28) chain A
residue 430
type catalytic
ligand
sequence S
description Annotated By Reference To The Literature 1ir3
source CSA : CSA1

29) chain A
residue 428
type catalytic
ligand
sequence K
description Annotated By Reference To The Literature 1ir3
source CSA : CSA2

30) chain A
residue 426
type catalytic
ligand
sequence D
description Annotated By Reference To The Literature 1ir3
source CSA : CSA2

31) chain A
residue 431
type catalytic
ligand
sequence N
description Annotated By Reference To The Literature 1ir3
source CSA : CSA3

32) chain A
residue 428
type catalytic
ligand
sequence K
description Annotated By Reference To The Literature 1ir3
source CSA : CSA3

33) chain A
residue 426
type catalytic
ligand
sequence D
description Annotated By Reference To The Literature 1ir3
source CSA : CSA3


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