eF-site ID 2ym4-A
PDB Code 2ym4
Chain A

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Title Crystal structure of checkpoint kinase 1 (Chk1) in complex with inhibitors
Classification TRANSFERASE
Compound SERINE/THREONINE-PROTEIN KINASE CHK1
Source null (CHK1_HUMAN)
Sequence A:  PFVEDWDLVQTLGEGAYGEVQLAVNRVTEEAVAVKIVNIK
KEICINKMLNHENVVKFYGHQYLFLEYCSGGELFDRIEPD
IGMPEPDAQRFFHQLMAGVVYLHGIGITHRDIKPENLLLD
ERDNLKISDFGLATVFRYNNRERLLNKMCGTLPYVAPELL
KRREFHAEPVDVWSCGIVLTAMLAGELPWDQPSDSCQEYS
DWKEKKTYLNPWKKIDSAPLALLHKILVENPSARITIPDI
KKDRWYNKPLK
Description


Functional site

1) chain A
residue 15
type
sequence L
description BINDING SITE FOR RESIDUE 4YM A 1271
source : AC1

2) chain A
residue 16
type
sequence G
description BINDING SITE FOR RESIDUE 4YM A 1271
source : AC1

3) chain A
residue 36
type
sequence A
description BINDING SITE FOR RESIDUE 4YM A 1271
source : AC1

4) chain A
residue 38
type
sequence K
description BINDING SITE FOR RESIDUE 4YM A 1271
source : AC1

5) chain A
residue 55
type
sequence E
description BINDING SITE FOR RESIDUE 4YM A 1271
source : AC1

6) chain A
residue 85
type
sequence E
description BINDING SITE FOR RESIDUE 4YM A 1271
source : AC1

7) chain A
residue 86
type
sequence Y
description BINDING SITE FOR RESIDUE 4YM A 1271
source : AC1

8) chain A
residue 87
type
sequence C
description BINDING SITE FOR RESIDUE 4YM A 1271
source : AC1

9) chain A
residue 91
type
sequence E
description BINDING SITE FOR RESIDUE 4YM A 1271
source : AC1

10) chain A
residue 134
type
sequence E
description BINDING SITE FOR RESIDUE 4YM A 1271
source : AC1

11) chain A
residue 137
type
sequence L
description BINDING SITE FOR RESIDUE 4YM A 1271
source : AC1

12) chain A
residue 147
type
sequence S
description BINDING SITE FOR RESIDUE 4YM A 1271
source : AC1

13) chain A
residue 132
type
sequence K
description BINDING SITE FOR RESIDUE EDO A 1272
source : AC2

14) chain A
residue 134
type
sequence E
description BINDING SITE FOR RESIDUE EDO A 1272
source : AC2

15) chain A
residue 129
type
sequence R
description BINDING SITE FOR RESIDUE EDO A 1273
source : AC3

16) chain A
residue 153
type
sequence T
description BINDING SITE FOR RESIDUE EDO A 1273
source : AC3

17) chain A
residue 165
type
sequence N
description BINDING SITE FOR RESIDUE EDO A 1273
source : AC3

18) chain A
residue 166
type
sequence K
description BINDING SITE FOR RESIDUE EDO A 1273
source : AC3

19) chain A
residue 123
type
sequence G
description BINDING SITE FOR RESIDUE EDO A 1274
source : AC4

20) chain A
residue 125
type
sequence G
description BINDING SITE FOR RESIDUE EDO A 1274
source : AC4

21) chain A
residue 156
type
sequence R
description BINDING SITE FOR RESIDUE EDO A 1274
source : AC4

22) chain A
residue 157
type
sequence Y
description BINDING SITE FOR RESIDUE EDO A 1274
source : AC4

23) chain A
residue 158
type
sequence N
description BINDING SITE FOR RESIDUE EDO A 1274
source : AC4

24) chain A
residue 159
type
sequence N
description BINDING SITE FOR RESIDUE EDO A 1274
source : AC4

25) chain A
residue 130
type ACT_SITE
sequence D
description Proton acceptor
source Swiss-Prot : SWS_FT_FI1

26) chain A
residue 132
type CROSSLNK
sequence K
description Glycyl lysine isopeptide (Lys-Gly) (interchain with G-Cter in ubiquitin) => ECO:0000269|PubMed:32357935
source Swiss-Prot : SWS_FT_FI5

27) chain A
residue 15-38
type prosite
sequence LGEGAYGEVQLAVNRVTEEAVAVK
description PROTEIN_KINASE_ATP Protein kinases ATP-binding region signature. LGEGAYGEVQlAvnrvteea..........VAVK
source prosite : PS00107

28) chain A
residue 126-138
type prosite
sequence ITHRDIKPENLLL
description PROTEIN_KINASE_ST Serine/Threonine protein kinases active-site signature. ItHrDIKpeNLLL
source prosite : PS00108

29) chain A
residue 38
type BINDING
sequence K
description BINDING => ECO:0000255|PROSITE-ProRule:PRU00159
source Swiss-Prot : SWS_FT_FI2

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


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