eF-site ID 2xez-A
PDB Code 2xez
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 Homo sapiens (Human) (CHK1_HUMAN)
Sequence A:  EDWDLVQTLGEVQLAVNRVTEEAVAVKIVDMNIKKEICIN
KMLNHENVVKFYGHRREIQYLFLEYCSGGELFDRIEPDIG
MPEPDAQRFFHQLMAGVVYLHGIGITHRDIKPENLLLDER
DNLKISDFGLATVFRYNNRERLLNKMCGTLPYVAPELLKR
REFHAEPVDVWSCGIVLTAMLAGELPWDQPSDSCQEYSDW
KEKKTYLNPWKKIDSAPLALLHKILVENPSARITIPDIKK
DRWYNKPLK
Description


Functional site

1) chain A
residue 36
type
sequence A
description BINDING SITE FOR RESIDUE XEZ A 1271
source : AC1

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

3) chain A
residue 85
type
sequence E
description BINDING SITE FOR RESIDUE XEZ A 1271
source : AC1

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

5) chain A
residue 137
type
sequence L
description BINDING SITE FOR RESIDUE XEZ A 1271
source : AC1

6) chain A
residue 93
type
sequence F
description BINDING SITE FOR RESIDUE EDO A 1272
source : AC2

7) chain A
residue 173
type
sequence Y
description BINDING SITE FOR RESIDUE EDO A 1272
source : AC2

8) chain A
residue 204
type
sequence G
description BINDING SITE FOR RESIDUE EDO A 1272
source : AC2

9) chain A
residue 206
type
sequence L
description BINDING SITE FOR RESIDUE EDO A 1272
source : AC2

10) chain A
residue 54
type
sequence K
description BINDING SITE FOR RESIDUE EDO A 1273
source : AC3

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

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

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

14) chain A
residue 91
type
sequence E
description BINDING SITE FOR RESIDUE EDO A 1274
source : AC4

15) chain A
residue 94
type
sequence D
description BINDING SITE FOR RESIDUE EDO A 1274
source : AC4

16) chain A
residue 57
type
sequence C
description BINDING SITE FOR RESIDUE EDO A 1275
source : AC5

17) chain A
residue 97
type
sequence E
description BINDING SITE FOR RESIDUE EDO A 1275
source : AC5

18) chain A
residue 154
type
sequence V
description BINDING SITE FOR RESIDUE EDO A 1275
source : AC5

19) chain A
residue 123
type
sequence G
description BINDING SITE FOR RESIDUE EDO A 1276
source : AC6

20) chain A
residue 156
type
sequence R
description BINDING SITE FOR RESIDUE EDO A 1276
source : AC6

21) chain A
residue 157
type
sequence Y
description BINDING SITE FOR RESIDUE EDO A 1276
source : AC6

22) chain A
residue 158
type
sequence N
description BINDING SITE FOR RESIDUE EDO A 1276
source : AC6

23) chain A
residue 159
type
sequence N
description BINDING SITE FOR RESIDUE EDO A 1276
source : AC6

24) chain A
residue 103
type
sequence P
description BINDING SITE FOR RESIDUE EDO A 1277
source : AC7

25) chain A
residue 157
type
sequence Y
description BINDING SITE FOR RESIDUE EDO A 1277
source : AC7

26) chain A
residue 158
type
sequence N
description BINDING SITE FOR RESIDUE EDO A 1277
source : AC7

27) 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

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

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

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

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

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


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