eF-site ID 2vqo-AB
PDB Code 2vqo
Chain A, B

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Title Structure of HDAC4 catalytic domain with a gain-of-function muation bound to a trifluoromethylketone inhbitor
Classification HYDROLASE
Compound HISTONE DEACETYLASE 4
Source Homo sapiens (Human) (HDAC4_HUMAN)
Sequence A:  RFTTGLVYDTLMLKHQAGRIQSIWSRLQETGLRGKCEAIR
GRKATLEELQTVHSEAHTLLYGTNPLVDSDTIWNEVHSAG
AARLAVGCVVELVFKVATGELKNGFAVVRPPGHHAEESTP
MGFCYFNSVAVAAKLLQQRLSVSKILIVDWDVHHGNGTQQ
AFYSDPSVLYMSLHRYDDGNFFPGSGAPDEVGTGPGVGFN
VNMAFTGGLDPPMGDAEYLAAFRTVVMPIASEFAPDVVLV
SSGFDAVEGHPTPLGGYNLSARCFGYLTKQLMGLAGGRIV
LALEGGYDLTAICDASEACVSALLGNELDPLPEKVLQQRP
NANAVRSMEKVMEIHSKYWRCLQRTTSTAGRSLIEAQTCE
B:  RFTTGLVYDTLMLKHAGRIQSIWSRLQETGLRGKCEAIRG
RKATLEELQTVHSEAHTLLYGTNPLDSDTIWNEVHSAGAA
RLAVGCVVELVFKVATGELKNGFAVVRPPGHHAEESTPMG
FCYFNSVAVAAKLLQQRLSVSKILIVDWDVHHGNGTQQAF
YSDPSVLYMSLHRYDDGNFFPGSGAPDEVGTGPGVGFNVN
MAFTGGLDPPMGDAEYLAAFRTVVMPIASEFAPDVVLVSS
GFDAVEGHPTPLGGYNLSARCFGYLTKQLMGLAGGRIVLA
LEGGYDLTAICDASEACVSALLGNELDPLPEKVLQQRPNA
NAVRSMEKVMEIHSKYWRCLQRTTSTAGRSLIEAQTCE
Description


Functional site

1) chain A
residue 20
type
sequence K
description BINDING SITE FOR RESIDUE SO4 A1406
source : AC1

2) chain A
residue 37
type
sequence R
description BINDING SITE FOR RESIDUE SO4 A1406
source : AC1

3) chain A
residue 38
type
sequence I
description BINDING SITE FOR RESIDUE SO4 A1406
source : AC1

4) chain A
residue 154
type
sequence R
description BINDING SITE FOR RESIDUE SO4 A1406
source : AC1

5) chain A
residue 42
type
sequence W
description BINDING SITE FOR RESIDUE SO4 A1407
source : AC2

6) chain A
residue 46
type
sequence Q
description BINDING SITE FOR RESIDUE SO4 A1407
source : AC2

7) chain A
residue 51
type
sequence R
description BINDING SITE FOR RESIDUE SO4 A1407
source : AC2

8) chain A
residue 194
type
sequence D
description BINDING SITE FOR RESIDUE K A1408
source : AC3

9) chain A
residue 196
type
sequence D
description BINDING SITE FOR RESIDUE K A1408
source : AC3

10) chain A
residue 198
type
sequence H
description BINDING SITE FOR RESIDUE K A1408
source : AC3

11) chain A
residue 217
type
sequence S
description BINDING SITE FOR RESIDUE K A1408
source : AC3

12) chain A
residue 218
type
sequence L
description BINDING SITE FOR RESIDUE K A1408
source : AC3

13) chain A
residue 207
type
sequence F
description BINDING SITE FOR RESIDUE K A1409
source : AC4

14) chain A
residue 210
type
sequence D
description BINDING SITE FOR RESIDUE K A1409
source : AC4

15) chain A
residue 213
type
sequence V
description BINDING SITE FOR RESIDUE K A1409
source : AC4

16) chain A
residue 244
type
sequence F
description BINDING SITE FOR RESIDUE K A1409
source : AC4

17) chain A
residue 156
type
sequence P
description BINDING SITE FOR RESIDUE TFG A1410
source : AC5

18) chain A
residue 158
type
sequence H
description BINDING SITE FOR RESIDUE TFG A1410
source : AC5

19) chain A
residue 159
type
sequence H
description BINDING SITE FOR RESIDUE TFG A1410
source : AC5

20) chain A
residue 167
type
sequence G
description BINDING SITE FOR RESIDUE TFG A1410
source : AC5

21) chain A
residue 168
type
sequence F
description BINDING SITE FOR RESIDUE TFG A1410
source : AC5

22) chain A
residue 196
type
sequence D
description BINDING SITE FOR RESIDUE TFG A1410
source : AC5

23) chain A
residue 198
type
sequence H
description BINDING SITE FOR RESIDUE TFG A1410
source : AC5

24) chain A
residue 227
type
sequence F
description BINDING SITE FOR RESIDUE TFG A1410
source : AC5

25) chain A
residue 290
type
sequence D
description BINDING SITE FOR RESIDUE TFG A1410
source : AC5

26) chain A
residue 329
type
sequence E
description BINDING SITE FOR RESIDUE TFG A1410
source : AC5

27) chain A
residue 330
type
sequence G
description BINDING SITE FOR RESIDUE TFG A1410
source : AC5

28) chain B
residue 78
type
sequence L
description BINDING SITE FOR RESIDUE TFG A1410
source : AC5

29) chain B
residue 79
type
sequence Y
description BINDING SITE FOR RESIDUE TFG A1410
source : AC5

30) chain B
residue 81
type
sequence T
description BINDING SITE FOR RESIDUE TFG A1410
source : AC5

31) chain B
residue 124
type
sequence A
description BINDING SITE FOR RESIDUE TFG A1410
source : AC5

32) chain A
residue 196
type
sequence D
description BINDING SITE FOR RESIDUE ZN A1411
source : AC6

33) chain A
residue 198
type
sequence H
description BINDING SITE FOR RESIDUE ZN A1411
source : AC6

34) chain A
residue 290
type
sequence D
description BINDING SITE FOR RESIDUE ZN A1411
source : AC6

35) chain B
residue 20
type
sequence K
description BINDING SITE FOR RESIDUE SO4 B1406
source : AC7

36) chain B
residue 37
type
sequence R
description BINDING SITE FOR RESIDUE SO4 B1406
source : AC7

37) chain B
residue 38
type
sequence I
description BINDING SITE FOR RESIDUE SO4 B1406
source : AC7

38) chain B
residue 154
type
sequence R
description BINDING SITE FOR RESIDUE SO4 B1406
source : AC7

39) chain B
residue 194
type
sequence D
description BINDING SITE FOR RESIDUE K B1407
source : AC8

40) chain B
residue 196
type
sequence D
description BINDING SITE FOR RESIDUE K B1407
source : AC8

41) chain B
residue 198
type
sequence H
description BINDING SITE FOR RESIDUE K B1407
source : AC8

42) chain B
residue 217
type
sequence S
description BINDING SITE FOR RESIDUE K B1407
source : AC8

43) chain B
residue 218
type
sequence L
description BINDING SITE FOR RESIDUE K B1407
source : AC8

44) chain B
residue 207
type
sequence F
description BINDING SITE FOR RESIDUE K B1408
source : AC9

45) chain B
residue 210
type
sequence D
description BINDING SITE FOR RESIDUE K B1408
source : AC9

46) chain B
residue 213
type
sequence V
description BINDING SITE FOR RESIDUE K B1408
source : AC9

47) chain B
residue 244
type
sequence F
description BINDING SITE FOR RESIDUE K B1408
source : AC9

48) chain A
residue 78
type
sequence L
description BINDING SITE FOR RESIDUE TFG B1409
source : BC1

49) chain A
residue 79
type
sequence Y
description BINDING SITE FOR RESIDUE TFG B1409
source : BC1

50) chain A
residue 81
type
sequence T
description BINDING SITE FOR RESIDUE TFG B1409
source : BC1

51) chain A
residue 121
type
sequence V
description BINDING SITE FOR RESIDUE TFG B1409
source : BC1

52) chain A
residue 124
type
sequence A
description BINDING SITE FOR RESIDUE TFG B1409
source : BC1

53) chain B
residue 156
type
sequence P
description BINDING SITE FOR RESIDUE TFG B1409
source : BC1

54) chain B
residue 158
type
sequence H
description BINDING SITE FOR RESIDUE TFG B1409
source : BC1

55) chain B
residue 159
type
sequence H
description BINDING SITE FOR RESIDUE TFG B1409
source : BC1

56) chain B
residue 167
type
sequence G
description BINDING SITE FOR RESIDUE TFG B1409
source : BC1

57) chain B
residue 168
type
sequence F
description BINDING SITE FOR RESIDUE TFG B1409
source : BC1

58) chain B
residue 196
type
sequence D
description BINDING SITE FOR RESIDUE TFG B1409
source : BC1

59) chain B
residue 198
type
sequence H
description BINDING SITE FOR RESIDUE TFG B1409
source : BC1

60) chain B
residue 227
type
sequence F
description BINDING SITE FOR RESIDUE TFG B1409
source : BC1

61) chain B
residue 290
type
sequence D
description BINDING SITE FOR RESIDUE TFG B1409
source : BC1

62) chain B
residue 299
type
sequence L
description BINDING SITE FOR RESIDUE TFG B1409
source : BC1

63) chain B
residue 330
type
sequence G
description BINDING SITE FOR RESIDUE TFG B1409
source : BC1

64) chain B
residue 196
type
sequence D
description BINDING SITE FOR RESIDUE ZN B1410
source : BC2

65) chain B
residue 198
type
sequence H
description BINDING SITE FOR RESIDUE ZN B1410
source : BC2

66) chain B
residue 290
type
sequence D
description BINDING SITE FOR RESIDUE ZN B1410
source : BC2

67) chain A
residue 159
type ACT_SITE
sequence H
description ACT_SITE => ECO:0000250
source Swiss-Prot : SWS_FT_FI1

68) chain B
residue 159
type ACT_SITE
sequence H
description ACT_SITE => ECO:0000250
source Swiss-Prot : SWS_FT_FI1


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