eF-site ID 3pze-A
PDB Code 3pze
Chain A

click to enlarge
Title JNK1 in complex with inhibitor
Classification TRANSFERASE/TRANSFERASE INHIBITOR
Compound Mitogen-activated protein kinase 8
Source Homo sapiens (Human) (MK08_HUMAN)
Sequence A:  DNNFYSVEIGDSTFTVLKRYQNLKPIGSGAQGIVCAAYDA
ILERNVAIKKLSRPFQNQTHAKRAYRELVLMKCVNHKNII
GLLNVFTPQKSLEEFQDVYIVMELMDANLCQVIQMELDHE
RMSYLLYQMLCGIKHLHSAGIIHRDLKPSNIVVKSDCTLK
ILDFGLSFMMTVTRYYRAPEVILGMGYKENVDLWSVGCIM
GEMVCHKILFPGRDYIDQWNKVIEQLGTPCPEFMKKLQPT
VRTYVENRPKYAGYSFEKLFPDVLFPADSEHNKLKASQAR
DLLSKMLVIDASKRISVDEALQHPYINVWYDPSEAEAPPP
KIPDKQLDEREHTIEEWKELIYKEVMD
Description (1)  Mitogen-activated protein kinase 8 (E.C.2.7.11.24)


Functional site

1) chain A
residue 35
type
ligand
sequence G
description BINDING SITE FOR RESIDUE SO4 A 402
source : AC1

2) chain A
residue 36
type
ligand
sequence A
description BINDING SITE FOR RESIDUE SO4 A 402
source : AC1

3) chain A
residue 69
type
ligand
sequence R
description BINDING SITE FOR RESIDUE SO4 A 402
source : AC1

4) chain A
residue 153
type
ligand
sequence K
description BINDING SITE FOR RESIDUE SO4 A 402
source : AC1

5) chain A
residue 25
type
ligand
sequence R
description BINDING SITE FOR RESIDUE SO4 A 403
source : AC2

6) chain A
residue 48
type
ligand
sequence L
description BINDING SITE FOR RESIDUE SO4 A 403
source : AC2

7) chain A
residue 288
type
ligand
sequence K
description BINDING SITE FOR RESIDUE SO4 A 403
source : AC2

8) chain A
residue 244
type
ligand
sequence P
description BINDING SITE FOR RESIDUE SO4 A 404
source : AC3

9) chain A
residue 245
type
ligand
sequence C
description BINDING SITE FOR RESIDUE SO4 A 404
source : AC3

10) chain A
residue 303
type
ligand
sequence V
description BINDING SITE FOR RESIDUE SO4 A 404
source : AC3

11) chain A
residue 304
type
ligand
sequence I
description BINDING SITE FOR RESIDUE SO4 A 404
source : AC3

12) chain A
residue 305
type
ligand
sequence D
description BINDING SITE FOR RESIDUE SO4 A 404
source : AC3

13) chain A
residue 188
type
ligand
sequence T
description BINDING SITE FOR RESIDUE SO4 A 405
source : AC4

14) chain A
residue 189
type
ligand
sequence R
description BINDING SITE FOR RESIDUE SO4 A 405
source : AC4

15) chain A
residue 192
type
ligand
sequence R
description BINDING SITE FOR RESIDUE SO4 A 405
source : AC4

16) chain A
residue 230
type
ligand
sequence Y
description BINDING SITE FOR RESIDUE SO4 A 405
source : AC4

17) chain A
residue 32
type
ligand
sequence I
description BINDING SITE FOR RESIDUE CFK A 1
source : AC5

18) chain A
residue 34
type
ligand
sequence S
description BINDING SITE FOR RESIDUE CFK A 1
source : AC5

19) chain A
residue 40
type
ligand
sequence V
description BINDING SITE FOR RESIDUE CFK A 1
source : AC5

20) chain A
residue 53
type
ligand
sequence A
description BINDING SITE FOR RESIDUE CFK A 1
source : AC5

21) chain A
residue 109
type
ligand
sequence E
description BINDING SITE FOR RESIDUE CFK A 1
source : AC5

22) chain A
residue 110
type
ligand
sequence L
description BINDING SITE FOR RESIDUE CFK A 1
source : AC5

23) chain A
residue 111
type
ligand
sequence M
description BINDING SITE FOR RESIDUE CFK A 1
source : AC5

24) chain A
residue 112
type
ligand
sequence D
description BINDING SITE FOR RESIDUE CFK A 1
source : AC5

25) chain A
residue 113
type
ligand
sequence A
description BINDING SITE FOR RESIDUE CFK A 1
source : AC5

26) chain A
residue 168
type
ligand
sequence L
description BINDING SITE FOR RESIDUE CFK A 1
source : AC5

27) chain A
residue 145
type ACT_SITE
ligand
sequence A
description Proton acceptor. {ECO:0000255|PROSITE- ProRule:PRU00159, ECO:0000255|PROSITE- ProRule:PRU10027}.
source Swiss-Prot : SWS_FT_FI1

28) chain A
residue 49
type BINDING
ligand
sequence E
description ATP. {ECO:0000255|PROSITE- ProRule:PRU00159}.
source Swiss-Prot : SWS_FT_FI2

29) chain A
residue 26-34
type NP_BIND
ligand
sequence YQNLKPIGS
description ATP. {ECO:0000255|PROSITE- ProRule:PRU00159}.
source Swiss-Prot : SWS_FT_FI3

30) chain A
residue 61-163
type prosite
ligand
sequence FQNQTHAKRAYRELVLMKCVNHKNIIGLLNVFTPQKSLEE
FQDVYIVMELMDANLCQVIQMELDHERMSYLLYQMLCGIK
HLHSAGIIHRDLKPSNIVVKSDC
description
source prosite : PS01351

31) chain A
residue 32-35
type binding
ligand CFK: 3-(carbamoylamino)-5-phenylthiophene-2-carboxamide
sequence IGSG
description 3-(carbamoylamino)-5-phenylthiophene-2-carboxamide binding site
source pdb_hetatom : CFK_3pze_A_1

32) chain A
residue 38
type binding
ligand CFK: 3-(carbamoylamino)-5-phenylthiophene-2-carboxamide
sequence G
description 3-(carbamoylamino)-5-phenylthiophene-2-carboxamide binding site
source pdb_hetatom : CFK_3pze_A_1

33) chain A
residue 40
type binding
ligand CFK: 3-(carbamoylamino)-5-phenylthiophene-2-carboxamide
sequence V
description 3-(carbamoylamino)-5-phenylthiophene-2-carboxamide binding site
source pdb_hetatom : CFK_3pze_A_1

34) chain A
residue 53
type binding
ligand CFK: 3-(carbamoylamino)-5-phenylthiophene-2-carboxamide
sequence A
description 3-(carbamoylamino)-5-phenylthiophene-2-carboxamide binding site
source pdb_hetatom : CFK_3pze_A_1

35) chain A
residue 55
type binding
ligand CFK: 3-(carbamoylamino)-5-phenylthiophene-2-carboxamide
sequence K
description 3-(carbamoylamino)-5-phenylthiophene-2-carboxamide binding site
source pdb_hetatom : CFK_3pze_A_1

36) chain A
residue 86
type binding
ligand CFK: 3-(carbamoylamino)-5-phenylthiophene-2-carboxamide
sequence I
description 3-(carbamoylamino)-5-phenylthiophene-2-carboxamide binding site
source pdb_hetatom : CFK_3pze_A_1

37) chain A
residue 108-114
type binding
ligand CFK: 3-(carbamoylamino)-5-phenylthiophene-2-carboxamide
sequence MELMDAN
description 3-(carbamoylamino)-5-phenylthiophene-2-carboxamide binding site
source pdb_hetatom : CFK_3pze_A_1

38) chain A
residue 117
type binding
ligand CFK: 3-(carbamoylamino)-5-phenylthiophene-2-carboxamide
sequence Q
description 3-(carbamoylamino)-5-phenylthiophene-2-carboxamide binding site
source pdb_hetatom : CFK_3pze_A_1

39) chain A
residue 158
type binding
ligand CFK: 3-(carbamoylamino)-5-phenylthiophene-2-carboxamide
sequence V
description 3-(carbamoylamino)-5-phenylthiophene-2-carboxamide binding site
source pdb_hetatom : CFK_3pze_A_1

40) chain A
residue 168
type binding
ligand CFK: 3-(carbamoylamino)-5-phenylthiophene-2-carboxamide
sequence L
description 3-(carbamoylamino)-5-phenylthiophene-2-carboxamide binding site
source pdb_hetatom : CFK_3pze_A_1


Display surface

Download
Links