eF-site ID 5a80-AB
PDB Code 5a80
Chain A, B

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Title Crystal structure of human JMJD2A in complex with compound 40
Classification OXIDOREDUCTASE
Compound LYSINE-SPECIFIC DEMETHYLASE 4A
Source Homo sapiens (Human) (KDM4A_HUMAN)
Sequence A:  ESETLNPSARIMTFYPTMEEFRNFSRYIAYIESQGAHRAG
LAKVVPPKEWKPRASYDDIDDLVIPAPIQQLVTGQSGLFT
QYNIQKKAMTVREFRKIANSDKYCTPRYSEFEELERKYWK
NLTFNPPIYGADVNGTLYEKHVDEWNIGRLRTILDLVEKE
SGITIEGVNTPYLYFGMWKTSFAWHTEDMDLYSINYLHFG
EPKSWYSVPPEHGKRLERLAKGFFPGSAQSCEAFLRHKMT
LISPLMLKKYGIPFDKVTQEAGEFMITFPYGYHAGFNHGF
NCAESTNFATRRWIEYGKQAVLCSCRKDMVKISMDVFVRK
FQPERYKLWKAGKDNTVIDHTLPTPEAAEFL
B:  NPSARIMTFYPTMEEFRNFSRYIAYIESQGAHRAGLAKVV
PPKEWKPRASYDDIDDLVIPAPIQQLVTGQSGLFTQYNIQ
KKAMTVREFRKIANSDKYCTPRYSEFEELERKYWKNLTFN
PPIYGADVNGTLYEKHVDEWNIGRLRTILDLVEKESGITI
EGVNTPYLYFGMWKTSFAWHTEDMDLYSINYLHFGEPKSW
YSVPPEHGKRLERLAKGFFPGSAQSCEAFLRHKMTLISPL
MLKKYGIPFDKVTQEAGEFMITFPYGYHAGFNHGFNCAES
TNFATRRWIEYGKQAVLCSCRKDMVKISMDVFVRKFQPER
YKLWKAGKDNTVIDHTLPTPEAAEF
Description


Functional site

1) chain A
residue 227
type
sequence F
description BINDING SITE FOR RESIDUE SO4 A 1355
source : AC1

2) chain A
residue 229
type
sequence G
description BINDING SITE FOR RESIDUE SO4 A 1355
source : AC1

3) chain A
residue 230
type
sequence S
description BINDING SITE FOR RESIDUE SO4 A 1355
source : AC1

4) chain B
residue 105
type
sequence K
description BINDING SITE FOR RESIDUE SO4 A 1355
source : AC1

5) chain B
residue 227
type
sequence F
description BINDING SITE FOR RESIDUE SO4 B 1354
source : AC2

6) chain B
residue 228
type
sequence P
description BINDING SITE FOR RESIDUE SO4 B 1354
source : AC2

7) chain B
residue 229
type
sequence G
description BINDING SITE FOR RESIDUE SO4 B 1354
source : AC2

8) chain B
residue 230
type
sequence S
description BINDING SITE FOR RESIDUE SO4 B 1354
source : AC2

9) chain A
residue 188
type
sequence H
description BINDING SITE FOR RESIDUE MN A 1356
source : AC3

10) chain A
residue 190
type
sequence E
description BINDING SITE FOR RESIDUE MN A 1356
source : AC3

11) chain A
residue 276
type
sequence H
description BINDING SITE FOR RESIDUE MN A 1356
source : AC3

12) chain B
residue 188
type
sequence H
description BINDING SITE FOR RESIDUE MN B 1355
source : AC4

13) chain B
residue 190
type
sequence E
description BINDING SITE FOR RESIDUE MN B 1355
source : AC4

14) chain B
residue 276
type
sequence H
description BINDING SITE FOR RESIDUE MN B 1355
source : AC4

15) chain A
residue 132
type
sequence Y
description BINDING SITE FOR RESIDUE 9CJ A 1357
source : AC5

16) chain A
residue 135
type
sequence D
description BINDING SITE FOR RESIDUE 9CJ A 1357
source : AC5

17) chain A
residue 177
type
sequence Y
description BINDING SITE FOR RESIDUE 9CJ A 1357
source : AC5

18) chain A
residue 185
type
sequence F
description BINDING SITE FOR RESIDUE 9CJ A 1357
source : AC5

19) chain A
residue 188
type
sequence H
description BINDING SITE FOR RESIDUE 9CJ A 1357
source : AC5

20) chain A
residue 190
type
sequence E
description BINDING SITE FOR RESIDUE 9CJ A 1357
source : AC5

21) chain A
residue 206
type
sequence K
description BINDING SITE FOR RESIDUE 9CJ A 1357
source : AC5

22) chain A
residue 240
type
sequence H
description BINDING SITE FOR RESIDUE 9CJ A 1357
source : AC5

23) chain A
residue 241
type
sequence K
description BINDING SITE FOR RESIDUE 9CJ A 1357
source : AC5

24) chain A
residue 276
type
sequence H
description BINDING SITE FOR RESIDUE 9CJ A 1357
source : AC5

25) chain B
residue 86
type
sequence N
description BINDING SITE FOR RESIDUE 9CJ B 1356
source : AC6

26) chain B
residue 132
type
sequence Y
description BINDING SITE FOR RESIDUE 9CJ B 1356
source : AC6

27) chain B
residue 135
type
sequence D
description BINDING SITE FOR RESIDUE 9CJ B 1356
source : AC6

28) chain B
residue 177
type
sequence Y
description BINDING SITE FOR RESIDUE 9CJ B 1356
source : AC6

29) chain B
residue 185
type
sequence F
description BINDING SITE FOR RESIDUE 9CJ B 1356
source : AC6

30) chain B
residue 188
type
sequence H
description BINDING SITE FOR RESIDUE 9CJ B 1356
source : AC6

31) chain B
residue 190
type
sequence E
description BINDING SITE FOR RESIDUE 9CJ B 1356
source : AC6

32) chain B
residue 206
type
sequence K
description BINDING SITE FOR RESIDUE 9CJ B 1356
source : AC6

33) chain B
residue 208
type
sequence W
description BINDING SITE FOR RESIDUE 9CJ B 1356
source : AC6

34) chain B
residue 241
type
sequence K
description BINDING SITE FOR RESIDUE 9CJ B 1356
source : AC6

35) chain B
residue 276
type
sequence H
description BINDING SITE FOR RESIDUE 9CJ B 1356
source : AC6

36) chain A
residue 234
type
sequence C
description BINDING SITE FOR RESIDUE ZN A 1358
source : AC7

37) chain A
residue 240
type
sequence H
description BINDING SITE FOR RESIDUE ZN A 1358
source : AC7

38) chain A
residue 306
type
sequence C
description BINDING SITE FOR RESIDUE ZN A 1358
source : AC7

39) chain A
residue 308
type
sequence C
description BINDING SITE FOR RESIDUE ZN A 1358
source : AC7

40) chain B
residue 234
type
sequence C
description BINDING SITE FOR RESIDUE ZN B 1357
source : AC8

41) chain B
residue 240
type
sequence H
description BINDING SITE FOR RESIDUE ZN B 1357
source : AC8

42) chain B
residue 306
type
sequence C
description BINDING SITE FOR RESIDUE ZN B 1357
source : AC8

43) chain B
residue 308
type
sequence C
description BINDING SITE FOR RESIDUE ZN B 1357
source : AC8

44) chain A
residue 170
type
sequence G
description BINDING SITE FOR RESIDUE EDO A 1359
source : AC9

45) chain A
residue 177
type
sequence Y
description BINDING SITE FOR RESIDUE EDO A 1359
source : AC9

46) chain A
residue 190
type
sequence E
description BINDING SITE FOR RESIDUE EDO A 1359
source : AC9

47) chain A
residue 196
type
sequence S
description BINDING SITE FOR RESIDUE EDO A 1359
source : AC9

48) chain A
residue 288
type
sequence S
description BINDING SITE FOR RESIDUE EDO A 1359
source : AC9

49) chain A
residue 290
type
sequence N
description BINDING SITE FOR RESIDUE EDO A 1359
source : AC9

50) chain B
residue 170
type
sequence G
description BINDING SITE FOR RESIDUE EDO B 1358
source : BC1

51) chain B
residue 175
type
sequence Y
description BINDING SITE FOR RESIDUE EDO B 1358
source : BC1

52) chain B
residue 177
type
sequence Y
description BINDING SITE FOR RESIDUE EDO B 1358
source : BC1

53) chain B
residue 190
type
sequence E
description BINDING SITE FOR RESIDUE EDO B 1358
source : BC1

54) chain B
residue 196
type
sequence S
description BINDING SITE FOR RESIDUE EDO B 1358
source : BC1

55) chain B
residue 290
type
sequence N
description BINDING SITE FOR RESIDUE EDO B 1358
source : BC1

56) chain B
residue 83
type
sequence T
description BINDING SITE FOR RESIDUE EDO B 1359
source : BC2

57) chain B
residue 230
type
sequence S
description BINDING SITE FOR RESIDUE EDO B 1359
source : BC2

58) chain B
residue 243
type
sequence T
description BINDING SITE FOR RESIDUE EDO B 1359
source : BC2

59) chain A
residue 189
type
sequence T
description BINDING SITE FOR RESIDUE EDO A 1360
source : BC3

60) chain A
residue 239
type
sequence R
description BINDING SITE FOR RESIDUE EDO A 1360
source : BC3

61) chain A
residue 275
type
sequence Y
description BINDING SITE FOR RESIDUE EDO A 1360
source : BC3

62) chain A
residue 224
type
sequence K
description BINDING SITE FOR RESIDUE EDO A 1361
source : BC4

63) chain A
residue 231
type
sequence A
description BINDING SITE FOR RESIDUE EDO A 1361
source : BC4

64) chain A
residue 234
type
sequence C
description BINDING SITE FOR RESIDUE EDO A 1361
source : BC4

65) chain A
residue 235
type
sequence E
description BINDING SITE FOR RESIDUE EDO A 1361
source : BC4

66) chain A
residue 236
type
sequence A
description BINDING SITE FOR RESIDUE EDO A 1361
source : BC4

67) chain A
residue 237
type
sequence F
description BINDING SITE FOR RESIDUE EDO A 1361
source : BC4

68) chain A
residue 150
type
sequence I
description BINDING SITE FOR RESIDUE EDO A 1362
source : BC5

69) chain A
residue 151
type
sequence G
description BINDING SITE FOR RESIDUE EDO A 1362
source : BC5

70) chain A
residue 152
type
sequence R
description BINDING SITE FOR RESIDUE EDO A 1362
source : BC5

71) chain A
residue 153
type
sequence L
description BINDING SITE FOR RESIDUE EDO A 1362
source : BC5

72) chain A
residue 290
type
sequence N
description BINDING SITE FOR RESIDUE EDO A 1362
source : BC5

73) chain A
residue 316
type
sequence S
description BINDING SITE FOR RESIDUE EDO A 1363
source : BC6

74) chain A
residue 317
type
sequence M
description BINDING SITE FOR RESIDUE EDO A 1363
source : BC6

75) chain A
residue 332
type
sequence W
description BINDING SITE FOR RESIDUE EDO A 1363
source : BC6

76) chain A
residue 252
type
sequence K
description BINDING SITE FOR RESIDUE EDO B 1360
source : BC7

77) chain B
residue 16
type
sequence T
description BINDING SITE FOR RESIDUE EDO B 1360
source : BC7

78) chain B
residue 17
type
sequence F
description BINDING SITE FOR RESIDUE EDO B 1360
source : BC7

79) chain B
residue 18
type
sequence Y
description BINDING SITE FOR RESIDUE EDO B 1360
source : BC7

80) chain B
residue 224
type
sequence K
description BINDING SITE FOR RESIDUE EDO B 1361
source : BC8

81) chain B
residue 235
type
sequence E
description BINDING SITE FOR RESIDUE EDO B 1361
source : BC8

82) chain B
residue 236
type
sequence A
description BINDING SITE FOR RESIDUE EDO B 1361
source : BC8

83) chain B
residue 237
type
sequence F
description BINDING SITE FOR RESIDUE EDO B 1361
source : BC8

84) chain B
residue 238
type
sequence L
description BINDING SITE FOR RESIDUE EDO B 1361
source : BC8

85) chain A
residue 98
type
sequence R
description BINDING SITE FOR RESIDUE EDO B 1362
source : BC9

86) chain B
residue 98
type
sequence R
description BINDING SITE FOR RESIDUE EDO B 1362
source : BC9

87) chain A
residue 170
type catalytic
sequence G
description 370
source MCSA : MCSA1

88) chain A
residue 177
type catalytic
sequence Y
description 370
source MCSA : MCSA1

89) chain A
residue 188
type catalytic
sequence H
description 370
source MCSA : MCSA1

90) chain A
residue 190
type catalytic
sequence E
description 370
source MCSA : MCSA1

91) chain A
residue 276
type catalytic
sequence H
description 370
source MCSA : MCSA1

92) chain A
residue 288
type catalytic
sequence S
description 370
source MCSA : MCSA1

93) chain B
residue 170
type catalytic
sequence G
description 370
source MCSA : MCSA2

94) chain B
residue 177
type catalytic
sequence Y
description 370
source MCSA : MCSA2

95) chain B
residue 188
type catalytic
sequence H
description 370
source MCSA : MCSA2

96) chain B
residue 190
type catalytic
sequence E
description 370
source MCSA : MCSA2

97) chain B
residue 276
type catalytic
sequence H
description 370
source MCSA : MCSA2

98) chain B
residue 288
type catalytic
sequence S
description 370
source MCSA : MCSA2

99) chain A
residue 132
type BINDING
sequence Y
description BINDING => ECO:0000269|PubMed:16677698
source Swiss-Prot : SWS_FT_FI1

100) chain A
residue 198
type BINDING
sequence N
description BINDING => ECO:0000269|PubMed:16677698
source Swiss-Prot : SWS_FT_FI1

101) chain A
residue 206
type BINDING
sequence K
description BINDING => ECO:0000269|PubMed:16677698
source Swiss-Prot : SWS_FT_FI1

102) chain B
residue 132
type BINDING
sequence Y
description BINDING => ECO:0000269|PubMed:16677698
source Swiss-Prot : SWS_FT_FI1

103) chain B
residue 198
type BINDING
sequence N
description BINDING => ECO:0000269|PubMed:16677698
source Swiss-Prot : SWS_FT_FI1

104) chain B
residue 206
type BINDING
sequence K
description BINDING => ECO:0000269|PubMed:16677698
source Swiss-Prot : SWS_FT_FI1

105) chain A
residue 188
type BINDING
sequence H
description BINDING => ECO:0000255|PROSITE-ProRule:PRU00538, ECO:0000269|PubMed:16677698, ECO:0000305|PubMed:26741168
source Swiss-Prot : SWS_FT_FI2

106) chain A
residue 276
type BINDING
sequence H
description BINDING => ECO:0000255|PROSITE-ProRule:PRU00538, ECO:0000269|PubMed:16677698, ECO:0000305|PubMed:26741168
source Swiss-Prot : SWS_FT_FI2

107) chain B
residue 188
type BINDING
sequence H
description BINDING => ECO:0000255|PROSITE-ProRule:PRU00538, ECO:0000269|PubMed:16677698, ECO:0000305|PubMed:26741168
source Swiss-Prot : SWS_FT_FI2

108) chain B
residue 276
type BINDING
sequence H
description BINDING => ECO:0000255|PROSITE-ProRule:PRU00538, ECO:0000269|PubMed:16677698, ECO:0000305|PubMed:26741168
source Swiss-Prot : SWS_FT_FI2

109) chain A
residue 190
type BINDING
sequence E
description BINDING => ECO:0000269|PubMed:16677698, ECO:0000305|PubMed:26741168
source Swiss-Prot : SWS_FT_FI3

110) chain B
residue 190
type BINDING
sequence E
description BINDING => ECO:0000269|PubMed:16677698, ECO:0000305|PubMed:26741168
source Swiss-Prot : SWS_FT_FI3

111) chain A
residue 234
type BINDING
sequence C
description BINDING => ECO:0007744|PDB:5F2W, ECO:0007744|PDB:5F32, ECO:0007744|PDB:5F37, ECO:0007744|PDB:5F39, ECO:0007744|PDB:5F3E, ECO:0007744|PDB:5F3G, ECO:0007744|PDB:5F5I
source Swiss-Prot : SWS_FT_FI4

112) chain A
residue 240
type BINDING
sequence H
description BINDING => ECO:0007744|PDB:5F2W, ECO:0007744|PDB:5F32, ECO:0007744|PDB:5F37, ECO:0007744|PDB:5F39, ECO:0007744|PDB:5F3E, ECO:0007744|PDB:5F3G, ECO:0007744|PDB:5F5I
source Swiss-Prot : SWS_FT_FI4

113) chain A
residue 306
type BINDING
sequence C
description BINDING => ECO:0007744|PDB:5F2W, ECO:0007744|PDB:5F32, ECO:0007744|PDB:5F37, ECO:0007744|PDB:5F39, ECO:0007744|PDB:5F3E, ECO:0007744|PDB:5F3G, ECO:0007744|PDB:5F5I
source Swiss-Prot : SWS_FT_FI4

114) chain A
residue 308
type BINDING
sequence C
description BINDING => ECO:0007744|PDB:5F2W, ECO:0007744|PDB:5F32, ECO:0007744|PDB:5F37, ECO:0007744|PDB:5F39, ECO:0007744|PDB:5F3E, ECO:0007744|PDB:5F3G, ECO:0007744|PDB:5F5I
source Swiss-Prot : SWS_FT_FI4

115) chain B
residue 234
type BINDING
sequence C
description BINDING => ECO:0007744|PDB:5F2W, ECO:0007744|PDB:5F32, ECO:0007744|PDB:5F37, ECO:0007744|PDB:5F39, ECO:0007744|PDB:5F3E, ECO:0007744|PDB:5F3G, ECO:0007744|PDB:5F5I
source Swiss-Prot : SWS_FT_FI4

116) chain B
residue 240
type BINDING
sequence H
description BINDING => ECO:0007744|PDB:5F2W, ECO:0007744|PDB:5F32, ECO:0007744|PDB:5F37, ECO:0007744|PDB:5F39, ECO:0007744|PDB:5F3E, ECO:0007744|PDB:5F3G, ECO:0007744|PDB:5F5I
source Swiss-Prot : SWS_FT_FI4

117) chain B
residue 306
type BINDING
sequence C
description BINDING => ECO:0007744|PDB:5F2W, ECO:0007744|PDB:5F32, ECO:0007744|PDB:5F37, ECO:0007744|PDB:5F39, ECO:0007744|PDB:5F3E, ECO:0007744|PDB:5F3G, ECO:0007744|PDB:5F5I
source Swiss-Prot : SWS_FT_FI4

118) chain B
residue 308
type BINDING
sequence C
description BINDING => ECO:0007744|PDB:5F2W, ECO:0007744|PDB:5F32, ECO:0007744|PDB:5F37, ECO:0007744|PDB:5F39, ECO:0007744|PDB:5F3E, ECO:0007744|PDB:5F3G, ECO:0007744|PDB:5F5I
source Swiss-Prot : SWS_FT_FI4

119) chain A
residue 241
type BINDING
sequence K
description BINDING => ECO:0000250|UniProtKB:B2RXH2
source Swiss-Prot : SWS_FT_FI5

120) chain B
residue 241
type BINDING
sequence K
description BINDING => ECO:0000250|UniProtKB:B2RXH2
source Swiss-Prot : SWS_FT_FI5


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