eF-site ID 5maf-A
PDB Code 5maf
Chain A

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Title Crystal structure of MELK in complex with an inhibitor
Classification TRANSFERASE
Compound Maternal embryonic leucine zipper kinase
Source Homo sapiens (Human) (MELK_HUMAN)
Sequence A:  PKDYDELLKYYELHETIGTGGFAKVKLACHILTGEMVAIK
IMDKNTLDLPRIKTEIEALKNLRHQHICQLYHVLETANKI
FMVLEYCPGGELFDYIISQDRLSEEETRVVFRQIVSAVAY
VHSQGYAHRDLKPENLLFDEYHKLKLIDFGLCAKSLAYAA
PELIQGKLGSEADVWSMGILLYVLMCGFLPFDDDNVMALY
KKIMRGKYDVPKWLSPSSILLLQQMLQVDPKKRISMKNLL
NHPWIMQDYNYPVEWQSKNPFIHLDDDCVTELSVHHRNNR
QTMEDLISLWQYDHLTATYLLLLAKKARGKPVRLR
Description (1)  Maternal embryonic leucine zipper kinase (E.C.2.7.11.1,2.7.10.2)


Functional site

1) chain A
residue 35
type
sequence E
description binding site for residue DMS A 401
source : AC1

2) chain A
residue 36
type
sequence M
description binding site for residue DMS A 401
source : AC1

3) chain A
residue 73
type
sequence Y
description binding site for residue DMS A 401
source : AC1

4) chain A
residue 88
type
sequence Y
description binding site for residue DMS A 401
source : AC1

5) chain A
residue 142
type
sequence E
description binding site for residue DMS A 401
source : AC1

6) chain A
residue 326
type
sequence R
description binding site for residue DMS A 401
source : AC1

7) chain A
residue 114
type
sequence R
description binding site for residue CL A 402
source : AC2

8) chain A
residue 272
type
sequence E
description binding site for residue CL A 402
source : AC2

9) chain A
residue 2
type
sequence K
description binding site for residue XIN A 403
source : AC3

10) chain A
residue 15
type
sequence E
description binding site for residue XIN A 403
source : AC3

11) chain A
residue 17
type
sequence I
description binding site for residue XIN A 403
source : AC3

12) chain A
residue 18
type
sequence G
description binding site for residue XIN A 403
source : AC3

13) chain A
residue 25
type
sequence V
description binding site for residue XIN A 403
source : AC3

14) chain A
residue 38
type
sequence A
description binding site for residue XIN A 403
source : AC3

15) chain A
residue 40
type
sequence K
description binding site for residue XIN A 403
source : AC3

16) chain A
residue 57
type
sequence E
description binding site for residue XIN A 403
source : AC3

17) chain A
residue 86
type
sequence L
description binding site for residue XIN A 403
source : AC3

18) chain A
residue 87
type
sequence E
description binding site for residue XIN A 403
source : AC3

19) chain A
residue 88
type
sequence Y
description binding site for residue XIN A 403
source : AC3

20) chain A
residue 89
type
sequence C
description binding site for residue XIN A 403
source : AC3

21) chain A
residue 92
type
sequence G
description binding site for residue XIN A 403
source : AC3

22) chain A
residue 93
type
sequence E
description binding site for residue XIN A 403
source : AC3

23) chain A
residue 139
type
sequence L
description binding site for residue XIN A 403
source : AC3

24) chain A
residue 149
type
sequence I
description binding site for residue XIN A 403
source : AC3

25) chain A
residue 150
type
sequence D
description binding site for residue XIN A 403
source : AC3

26) 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

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

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

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

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

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

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

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


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