eF-site ID 3du8-AB
PDB Code 3du8
Chain A, B

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Title Crystal structure of GSK-3 beta in complex with NMS-869553A
Classification TRANSFERASE
Compound Glycogen synthase kinase-3 beta
Source Homo sapiens (Human) (GSK3B_HUMAN)
Sequence A:  SKVTTVVATPGQGPDRPQEVSYTDTKVIGNGSFGVVYQAK
LCDSGELVAIKKVLQDKRFKNRELQIMRKLDHCNIVRLRY
FFYSSVYLNLVLDYVPETVYRVARHYSRAKQTLPVIYVKL
YMYQLFRSLAYIHSFGICHRDIKPQNLLLDPDTAVLKLCD
FGSAKQLVRGEPNVSYICSRYYRAPELIFGATDYTSSIDV
WSAGCVLAELLLGQPIFPGDSGVDQLVEIIKVLGTPTREQ
IREMNPFPQIKAHPWTKVFRPRTPPEAIALCSRLLEYTPT
ARLTPLEACAHSFFDELRDPNVKLPNGRDTPALFNFTTQE
LSSNPPLATILIPPHA
B:  SKVTTVVATPGQGPDRPQEVSYTDTKVIGNGSFGVVYQAK
LCDSGELVAIKKVLQDKRFKNRELQIMRKLDHCNIVRLRY
FFYSSVYLNLVLDYVPETVYRVARHYSRAKQTLPVIYVKL
YMYQLFRSLAYIHSFGICHRDIKPQNLLLDPDTAVLKLCD
FGSAKQLVRGEPNVSYICSRYYRAPELIFGATDYTSSIDV
WSAGCVLAELLLGQPIFPGDSGVDQLVEIIKVLGTPTREQ
IREMNPFPQIKAHPWTKVFRPRTPPEAIALCSRLLEYTPT
ARLTPLEACAHSFFDELRDPNVKLPNGRDTPALFNFTTQE
LSSNPPLATILIPPHARIQ
Description


Functional site

1) chain A
residue 67
type
sequence F
description BINDING SITE FOR RESIDUE 553 A 553
source : AC1

2) chain A
residue 83
type
sequence A
description BINDING SITE FOR RESIDUE 553 A 553
source : AC1

3) chain A
residue 85
type
sequence K
description BINDING SITE FOR RESIDUE 553 A 553
source : AC1

4) chain A
residue 133
type
sequence D
description BINDING SITE FOR RESIDUE 553 A 553
source : AC1

5) chain A
residue 134
type
sequence Y
description BINDING SITE FOR RESIDUE 553 A 553
source : AC1

6) chain A
residue 186
type
sequence N
description BINDING SITE FOR RESIDUE 553 A 553
source : AC1

7) chain A
residue 188
type
sequence L
description BINDING SITE FOR RESIDUE 553 A 553
source : AC1

8) chain A
residue 200
type
sequence D
description BINDING SITE FOR RESIDUE 553 A 553
source : AC1

9) chain B
residue 83
type
sequence A
description BINDING SITE FOR RESIDUE 553 B 553
source : AC2

10) chain B
residue 85
type
sequence K
description BINDING SITE FOR RESIDUE 553 B 553
source : AC2

11) chain B
residue 133
type
sequence D
description BINDING SITE FOR RESIDUE 553 B 553
source : AC2

12) chain B
residue 134
type
sequence Y
description BINDING SITE FOR RESIDUE 553 B 553
source : AC2

13) chain B
residue 186
type
sequence N
description BINDING SITE FOR RESIDUE 553 B 553
source : AC2

14) chain B
residue 188
type
sequence L
description BINDING SITE FOR RESIDUE 553 B 553
source : AC2

15) chain B
residue 200
type
sequence D
description BINDING SITE FOR RESIDUE 553 B 553
source : AC2

16) chain A
residue 62-86
type prosite
sequence IGNGSFGVVYQAKLCDSGELVAIKK
description PROTEIN_KINASE_ATP Protein kinases ATP-binding region signature. IGNGSFGVVYqAklcdsgelv.........AIKK
source prosite : PS00107

17) chain A
residue 177-189
type prosite
sequence ICHRDIKPQNLLL
description PROTEIN_KINASE_ST Serine/Threonine protein kinases active-site signature. IcHrDIKpqNLLL
source prosite : PS00108

18) chain A
residue 181
type ACT_SITE
sequence D
description Proton acceptor
source Swiss-Prot : SWS_FT_FI1

19) chain B
residue 181
type ACT_SITE
sequence D
description Proton acceptor
source Swiss-Prot : SWS_FT_FI1

20) chain A
residue 62
type BINDING
sequence I
description BINDING => ECO:0000255|PROSITE-ProRule:PRU00159
source Swiss-Prot : SWS_FT_FI2

21) chain B
residue 62
type BINDING
sequence I
description BINDING => ECO:0000255|PROSITE-ProRule:PRU00159
source Swiss-Prot : SWS_FT_FI2

22) chain A
residue 85
type BINDING
sequence K
description BINDING => ECO:0000255|PROSITE-ProRule:PRU00159, ECO:0000305|PubMed:17050006
source Swiss-Prot : SWS_FT_FI3

23) chain B
residue 85
type BINDING
sequence K
description BINDING => ECO:0000255|PROSITE-ProRule:PRU00159, ECO:0000305|PubMed:17050006
source Swiss-Prot : SWS_FT_FI3

24) chain A
residue 216
type MOD_RES
sequence Y
description Phosphotyrosine => ECO:0000269|PubMed:12554650, ECO:0000269|PubMed:25169422
source Swiss-Prot : SWS_FT_FI5

25) chain B
residue 216
type MOD_RES
sequence Y
description Phosphotyrosine => ECO:0000269|PubMed:12554650, ECO:0000269|PubMed:25169422
source Swiss-Prot : SWS_FT_FI5


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