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

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Title Crystal structure of unphosphorylated Maternal Embryonic Leucine zipper Kinase (MELK) in complex with a benzodipyrazole inhibitor
Classification TRANSFERASE
Compound MATERNAL EMBRYONIC LEUCINE ZIPPER KINASE
Source (MELK_HUMAN)
Sequence A:  KDYDELLKYYELHETIGTGAKVKLACHILTGEMVAIKIMD
KNTLLPRIKTEIEALKNLRHQHICQLYHVLETANKIFMVL
EYCPGGELFDYIISQDRLSEEETRVVFRQIVSAVAYVHSQ
GYAHRDLKPENLLFDEYHKLKLIDFGLCASLAYAAPELIQ
GGSEADVWSMGILLYVLMCGFLPFDDDNVMALYKKIMRGK
YDVPKWLSPSSILLLQQMLQVDPKKRISMKNLLNHPWIMQ
DYNYPVEWQSKNPFIHLDDDCVTELSVHHRNNRQTMEDLI
SLWQYDHLTATYLLLLAKKARGKPVRLRL
Description


Functional site

1) chain A
residue 17
type
sequence I
description BINDING SITE FOR RESIDUE 1WS A 1335
source : AC1

2) chain A
residue 38
type
sequence A
description BINDING SITE FOR RESIDUE 1WS A 1335
source : AC1

3) chain A
residue 40
type
sequence K
description BINDING SITE FOR RESIDUE 1WS A 1335
source : AC1

4) chain A
residue 87
type
sequence E
description BINDING SITE FOR RESIDUE 1WS A 1335
source : AC1

5) chain A
residue 88
type
sequence Y
description BINDING SITE FOR RESIDUE 1WS A 1335
source : AC1

6) chain A
residue 89
type
sequence C
description BINDING SITE FOR RESIDUE 1WS A 1335
source : AC1

7) chain A
residue 90
type
sequence P
description BINDING SITE FOR RESIDUE 1WS A 1335
source : AC1

8) chain A
residue 137
type
sequence N
description BINDING SITE FOR RESIDUE 1WS A 1335
source : AC1

9) chain A
residue 139
type
sequence L
description BINDING SITE FOR RESIDUE 1WS A 1335
source : AC1

10) chain A
residue 149
type
sequence I
description BINDING SITE FOR RESIDUE 1WS A 1335
source : AC1

11) chain A
residue 150
type
sequence D
description BINDING SITE FOR RESIDUE 1WS A 1335
source : AC1

12) chain A
residue 171
type MOD_RES
sequence S
description Phosphoserine; by autocatalysis => ECO:0000269|PubMed:16216881
source Swiss-Prot : SWS_FT_FI6

13) chain A
residue 253
type MOD_RES
sequence S
description Phosphoserine; by autocatalysis => ECO:0000269|PubMed:16216881
source Swiss-Prot : SWS_FT_FI6

14) chain A
residue 132
type ACT_SITE
sequence D
description Proton acceptor => ECO:0000255|PROSITE-ProRule:PRU00159, ECO:0000255|PROSITE-ProRule:PRU10027
source Swiss-Prot : SWS_FT_FI1

15) chain A
residue 17
type BINDING
sequence I
description BINDING => ECO:0000255|PROSITE-ProRule:PRU00159
source Swiss-Prot : SWS_FT_FI2

16) chain A
residue 40
type BINDING
sequence K
description BINDING => ECO:0000255|PROSITE-ProRule:PRU00159
source Swiss-Prot : SWS_FT_FI2

17) chain A
residue 56
type MOD_RES
sequence T
description Phosphothreonine; by autocatalysis => ECO:0000269|PubMed:16216881
source Swiss-Prot : SWS_FT_FI3

18) chain A
residue 17-40
type prosite
sequence IGTGAKVKLACHILTGEMVAIK
description PROTEIN_KINASE_ATP Protein kinases ATP-binding region signature. IGTGGFAKVKlAchiltgem..........VAIK
source prosite : PS00107

19) chain A
residue 128-140
type prosite
sequence YAHRDLKPENLLF
description PROTEIN_KINASE_ST Serine/Threonine protein kinases active-site signature. YaHrDLKpeNLLF
source prosite : PS00108


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