eF-site ID 4c4h-A
PDB Code 4c4h
Chain A

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Title Structure-based design of orally bioavailable pyrrolopyridine inhibitors of the mitotic kinase MPS1
Classification TRANSFERASE
Compound DUAL SPECIFICITY PROTEIN KINASE TTK
Source Homo sapiens (Human) (TTK_HUMAN)
Sequence A:  QSMSVKGRIYSILKQIGSGSSKVFQVLNEKKQIYAIKYVN
LEEADNQTLDSYRNEIAYLNKLQQHSDKIIRLYDYEITDQ
YIYMVMECGNIDLNSWLKKKKSIDPWERKSYWKNMLEAVH
TIHQHGIVHSDLKPANFLIVDGMLKLIDFGIATVNYMPPE
AIKDISPKSDVWSLGCILYYMTYGKTPFQQIINQISKLHA
IIDPNHEIEFPDIPEKDLQDVLKCCLKRDPKQRISIPELL
AHPYVQIQ
Description


Functional site

1) chain A
residue 531
type
sequence I
description BINDING SITE FOR RESIDUE 7RO A 1795
source : AC1

2) chain A
residue 539
type
sequence V
description BINDING SITE FOR RESIDUE 7RO A 1795
source : AC1

3) chain A
residue 541
type
sequence Q
description BINDING SITE FOR RESIDUE 7RO A 1795
source : AC1

4) chain A
residue 551
type
sequence A
description BINDING SITE FOR RESIDUE 7RO A 1795
source : AC1

5) chain A
residue 553
type
sequence K
description BINDING SITE FOR RESIDUE 7RO A 1795
source : AC1

6) chain A
residue 602
type
sequence M
description BINDING SITE FOR RESIDUE 7RO A 1795
source : AC1

7) chain A
residue 603
type
sequence E
description BINDING SITE FOR RESIDUE 7RO A 1795
source : AC1

8) chain A
residue 604
type
sequence C
description BINDING SITE FOR RESIDUE 7RO A 1795
source : AC1

9) chain A
residue 605
type
sequence G
description BINDING SITE FOR RESIDUE 7RO A 1795
source : AC1

10) chain A
residue 607
type
sequence I
description BINDING SITE FOR RESIDUE 7RO A 1795
source : AC1

11) chain A
residue 608
type
sequence D
description BINDING SITE FOR RESIDUE 7RO A 1795
source : AC1

12) chain A
residue 611
type
sequence S
description BINDING SITE FOR RESIDUE 7RO A 1795
source : AC1

13) chain A
residue 654
type
sequence L
description BINDING SITE FOR RESIDUE 7RO A 1795
source : AC1

14) chain A
residue 663
type
sequence I
description BINDING SITE FOR RESIDUE 7RO A 1795
source : AC1

15) chain A
residue 537
type
sequence S
description BINDING SITE FOR RESIDUE 7PE A 1796
source : AC2

16) chain A
residue 553
type
sequence K
description BINDING SITE FOR RESIDUE 7PE A 1796
source : AC2

17) chain A
residue 568
type
sequence Y
description BINDING SITE FOR RESIDUE 7PE A 1796
source : AC2

18) chain A
residue 571
type
sequence E
description BINDING SITE FOR RESIDUE 7PE A 1796
source : AC2

19) chain A
residue 664
type
sequence D
description BINDING SITE FOR RESIDUE 7PE A 1796
source : AC2

20) chain A
residue 647
type ACT_SITE
sequence D
description Proton acceptor => ECO:0000255|PROSITE-ProRule:PRU00159, ECO:0000255|PROSITE-ProRule:PRU10027
source Swiss-Prot : SWS_FT_FI1

21) chain A
residue 531
type BINDING
sequence I
description BINDING => ECO:0000255|PROSITE-ProRule:PRU00159
source Swiss-Prot : SWS_FT_FI2

22) chain A
residue 553
type BINDING
sequence K
description BINDING => ECO:0000255|PROSITE-ProRule:PRU00159
source Swiss-Prot : SWS_FT_FI2

23) chain A
residue 531-553
type prosite
sequence IGSGSSKVFQVLNEKKQIYAIK
description PROTEIN_KINASE_ATP Protein kinases ATP-binding region signature. IGSGGSSKVFqVlnekkqi...........YAIK
source prosite : PS00107

24) chain A
residue 643-655
type prosite
sequence IVHSDLKPANFLI
description PROTEIN_KINASE_ST Serine/Threonine protein kinases active-site signature. IvHsDLKpaNFLI
source prosite : PS00108


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