eF-site ID 2g01-A
PDB Code 2g01
Chain A

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Title Pyrazoloquinolones as Novel, Selective JNK1 inhibitors
Classification TRANSFERASE
Compound Mitogen-activated protein kinase 8
Source null (JIP1_HUMAN)
Sequence A:  FYSVEIGDSTFTVLKRYQNLKPIGSGAQGIVCAAYDAILE
RNVAIKKLSRPFQNQTHAKRAYRELVLMKCVNHKNIIGLL
NVFTPQKSLEEFQDVYIVMELMDANLCQVIQMELDHERMS
YLLYQMLCGIKHLHSAGIIHRDLKPSNIVVKSDCTLKILD
FGLARTAGTSFMMEPEVVTRYYRAPEVILGMGYKENVDLW
SVGCIMGEMVCHKILFPGRDYIDQWNKVIEQLGTPCPEFM
KKLQPTVRTYVENRPKYAGYSFEKLFPDVLFPADSEHNKL
KASQARDLLSKMLVIDASKRISVDEALQHPYINVWYDPSE
AEAPPPKIPDKQLDEREHTIEEWKELIYKEVMDLEH
Description


Functional site

1) chain A
residue 189
type
sequence R
description BINDING SITE FOR RESIDUE SO4 A 501
source : AC1

2) chain A
residue 192
type
sequence R
description BINDING SITE FOR RESIDUE SO4 A 501
source : AC1

3) chain A
residue 69
type
sequence R
description BINDING SITE FOR RESIDUE SO4 A 601
source : AC2

4) chain A
residue 72
type
sequence R
description BINDING SITE FOR RESIDUE SO4 A 601
source : AC2

5) chain A
residue 150
type
sequence R
description BINDING SITE FOR RESIDUE SO4 A 601
source : AC2

6) chain A
residue 174
type
sequence R
description BINDING SITE FOR RESIDUE SO4 A 601
source : AC2

7) chain A
residue 255
type
sequence T
description BINDING SITE FOR RESIDUE SO4 B 701
source : AC3

8) chain A
residue 32
type
sequence I
description BINDING SITE FOR RESIDUE 73Q A 901
source : AC5

9) chain A
residue 53
type
sequence A
description BINDING SITE FOR RESIDUE 73Q A 901
source : AC5

10) chain A
residue 108
type
sequence M
description BINDING SITE FOR RESIDUE 73Q A 901
source : AC5

11) chain A
residue 111
type
sequence M
description BINDING SITE FOR RESIDUE 73Q A 901
source : AC5

12) chain A
residue 113
type
sequence A
description BINDING SITE FOR RESIDUE 73Q A 901
source : AC5

13) chain A
residue 114
type
sequence N
description BINDING SITE FOR RESIDUE 73Q A 901
source : AC5

14) chain A
residue 168
type
sequence L
description BINDING SITE FOR RESIDUE 73Q A 901
source : AC5

15) chain A
residue 147-159
type prosite
sequence IIHRDLKPSNIVV
description PROTEIN_KINASE_ST Serine/Threonine protein kinases active-site signature. IiHrDLKpsNIVV
source prosite : PS00108

16) chain A
residue 61-163
type prosite
sequence FQNQTHAKRAYRELVLMKCVNHKNIIGLLNVFTPQKSLEE
FQDVYIVMELMDANLCQVIQMELDHERMSYLLYQMLCGIK
HLHSAGIIHRDLKPSNIVVKSDC
description MAPK MAP kinase signature. FqnqthakrayRElvlmkcvnhkniigllnvftpqksleefqdvyivmelmdanlcqviqmeldhermsyllyqmlcgikhlhsagiih..........RDlKpsnivvksdC
source prosite : PS01351

17) chain A
residue 151
type ACT_SITE
sequence D
description Proton acceptor => ECO:0000255|PROSITE-ProRule:PRU00159, ECO:0000255|PROSITE-ProRule:PRU10027
source Swiss-Prot : SWS_FT_FI1

18) chain A
residue 55
type BINDING
sequence K
description BINDING => ECO:0000255|PROSITE-ProRule:PRU00159
source Swiss-Prot : SWS_FT_FI2

19) chain A
residue 32
type BINDING
sequence I
description BINDING => ECO:0000255|PROSITE-ProRule:PRU00159
source Swiss-Prot : SWS_FT_FI2

20) chain A
residue 116
type MOD_RES
sequence C
description S-nitrosocysteine => ECO:0000250|UniProtKB:P49185
source Swiss-Prot : SWS_FT_FI3

21) chain A
residue 183
type MOD_RES
sequence E
description Phosphothreonine; by MAP2K7 => ECO:0000269|PubMed:11062067
source Swiss-Prot : SWS_FT_FI4

22) chain A
residue 185
type MOD_RES
sequence E
description Phosphotyrosine; by MAP2K4 => ECO:0000269|PubMed:11062067
source Swiss-Prot : SWS_FT_FI5


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