eF-site ID 6bpy-A
PDB Code 6bpy
Chain A

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Title Aspergillus fumigatus Thioredoxin Reductase
Classification OXIDOREDUCTASE
Compound Thioredoxin reductase
Source (A0A229Y1X4_ASPFM)
Sequence A:  VHTKVVIIGSGPAAHTAAIYLSRAELKPVLYEGMLANTAA
GGQLTTTTDIENFPGFPDGIGGAELMENMRKQSIRFGTEV
ITETISRVDLSSKPFKLWTEWNDGPDKEPACTADAVIIAT
GANARRLNLPGEETYWQNGISACAVCDGAVPIFRNKPLYV
IGGGDSAAEEAMFLAKYGSSVTVLVRRDKLRASKAMAKRL
LAHPKVTVRFNTVATEVLGEKKPNGLMTHLRIKNTVTGEE
EIVDANGLFYAVGHDPATALVKGQIDLDEDGYIITKPGTS
YTSREGVFACGDVQDKRYRQAITSAGSGCIAALEAEKFIA
EAES
Description (1)  Thioredoxin reductase (E.C.1.8.1.9)


Functional site

1) chain A
residue 9
type
ligand
sequence I
description binding site for residue FAD A 401
source : AC1

2) chain A
residue 10
type
ligand
sequence G
description binding site for residue FAD A 401
source : AC1

3) chain A
residue 11
type
ligand
sequence S
description binding site for residue FAD A 401
source : AC1

4) chain A
residue 12
type
ligand
sequence G
description binding site for residue FAD A 401
source : AC1

5) chain A
residue 13
type
ligand
sequence P
description binding site for residue FAD A 401
source : AC1

6) chain A
residue 14
type
ligand
sequence A
description binding site for residue FAD A 401
source : AC1

7) chain A
residue 32
type
ligand
sequence Y
description binding site for residue FAD A 401
source : AC1

8) chain A
residue 33
type
ligand
sequence E
description binding site for residue FAD A 401
source : AC1

9) chain A
residue 34
type
ligand
sequence G
description binding site for residue FAD A 401
source : AC1

10) chain A
residue 37
type
ligand
sequence A
description binding site for residue FAD A 401
source : AC1

11) chain A
residue 40
type
ligand
sequence T
description binding site for residue FAD A 401
source : AC1

12) chain A
residue 41
type
ligand
sequence A
description binding site for residue FAD A 401
source : AC1

13) chain A
residue 44
type
ligand
sequence G
description binding site for residue FAD A 401
source : AC1

14) chain A
residue 45
type
ligand
sequence Q
description binding site for residue FAD A 401
source : AC1

15) chain A
residue 46
type
ligand
sequence L
description binding site for residue FAD A 401
source : AC1

16) chain A
residue 49
type
ligand
sequence T
description binding site for residue FAD A 401
source : AC1

17) chain A
residue 52
type
ligand
sequence I
description binding site for residue FAD A 401
source : AC1

18) chain A
residue 54
type
ligand
sequence N
description binding site for residue FAD A 401
source : AC1

19) chain A
residue 85
type
ligand
sequence E
description binding site for residue FAD A 401
source : AC1

20) chain A
residue 86
type
ligand
sequence T
description binding site for residue FAD A 401
source : AC1

21) chain A
residue 87
type
ligand
sequence I
description binding site for residue FAD A 401
source : AC1

22) chain A
residue 121
type
ligand
sequence A
description binding site for residue FAD A 401
source : AC1

23) chain A
residue 122
type
ligand
sequence T
description binding site for residue FAD A 401
source : AC1

24) chain A
residue 123
type
ligand
sequence G
description binding site for residue FAD A 401
source : AC1

25) chain A
residue 138
type
ligand
sequence W
description binding site for residue FAD A 401
source : AC1

26) chain A
residue 139
type
ligand
sequence Q
description binding site for residue FAD A 401
source : AC1

27) chain A
residue 148
type
ligand
sequence C
description binding site for residue FAD A 401
source : AC1

28) chain A
residue 149
type
ligand
sequence D
description binding site for residue FAD A 401
source : AC1

29) chain A
residue 262
type
ligand
sequence L
description binding site for residue FAD A 401
source : AC1

30) chain A
residue 293
type
ligand
sequence G
description binding site for residue FAD A 401
source : AC1

31) chain A
residue 294
type
ligand
sequence D
description binding site for residue FAD A 401
source : AC1

32) chain A
residue 301
type
ligand
sequence R
description binding site for residue FAD A 401
source : AC1

33) chain A
residue 302
type
ligand
sequence Q
description binding site for residue FAD A 401
source : AC1

34) chain A
residue 303
type
ligand
sequence A
description binding site for residue FAD A 401
source : AC1

35) chain A
residue 306
type
ligand
sequence S
description binding site for residue FAD A 401
source : AC1

36) chain A
residue 50
type
ligand
sequence T
description binding site for residue MLI A 402
source : AC2

37) chain A
residue 139
type
ligand
sequence Q
description binding site for residue MLI A 402
source : AC2

38) chain A
residue 141
type
ligand
sequence G
description binding site for residue MLI A 402
source : AC2

39) chain A
residue 142
type
ligand
sequence I
description binding site for residue MLI A 402
source : AC2

40) chain A
residue 149
type
ligand
sequence D
description binding site for residue MLI A 402
source : AC2

41) chain A
residue 152
type
ligand
sequence V
description binding site for residue MLI A 402
source : AC2

42) chain A
residue 154
type
ligand
sequence I
description binding site for residue MLI A 402
source : AC2

43) chain A
residue 155
type
ligand
sequence F
description binding site for residue MLI A 402
source : AC2

44) chain A
residue 147
type
ligand
sequence V
description binding site for residue MLI A 403
source : AC3

45) chain A
residue 171
type
ligand
sequence E
description binding site for residue MLI A 403
source : AC3

46) chain A
residue 315
type
ligand
sequence L
description binding site for residue MLI A 404
source : AC4

47) chain A
residue 318
type
ligand
sequence E
description binding site for residue MLI A 404
source : AC4

48) chain A
residue 133
type
ligand
sequence G
description binding site for residue FMT A 405
source : AC5

49) chain A
residue 136
type
ligand
sequence T
description binding site for residue FMT A 405
source : AC5

50) chain A
residue 299
type
ligand
sequence R
description binding site for residue FMT A 406
source : AC6

51) chain A
residue 129
type
ligand
sequence L
description binding site for residue NAP A 407
source : AC7

52) chain A
residue 163
type
ligand
sequence I
description binding site for residue NAP A 407
source : AC7

53) chain A
residue 165
type
ligand
sequence G
description binding site for residue NAP A 407
source : AC7

54) chain A
residue 166
type
ligand
sequence G
description binding site for residue NAP A 407
source : AC7

55) chain A
residue 167
type
ligand
sequence D
description binding site for residue NAP A 407
source : AC7

56) chain A
residue 168
type
ligand
sequence S
description binding site for residue NAP A 407
source : AC7

57) chain A
residue 188
type
ligand
sequence R
description binding site for residue NAP A 407
source : AC7

58) chain A
residue 189
type
ligand
sequence R
description binding site for residue NAP A 407
source : AC7

59) chain A
residue 193
type
ligand
sequence R
description binding site for residue NAP A 407
source : AC7

60) chain A
residue 254
type
ligand
sequence V
description binding site for residue NAP A 407
source : AC7

61) chain A
residue 181
type
ligand
sequence S
description binding site for residue ACT A 408
source : AC8

62) chain A
residue 182
type
ligand
sequence S
description binding site for residue ACT A 408
source : AC8

63) chain A
residue 24
type
ligand
sequence R
description binding site for residue FMT B 407
source : AD6

64) chain A
residue 78
type
ligand
sequence F
description binding site for residue FMT B 407
source : AD6

65) chain A
residue 53
type
ligand
sequence E
description binding site for residue FMT B 408
source : AD7

66) chain A
residue 151
type
ligand
sequence A
description binding site for residue FMT B 408
source : AD7

67) chain A
residue 305
type
ligand
sequence T
description binding site for residue MLT B 410
source : AD9

68) chain A
residue 308
type
ligand
sequence G
description binding site for residue MLT B 410
source : AD9

69) chain A
residue 309
type
ligand
sequence S
description binding site for residue MLT B 410
source : AD9

70) chain A
residue 9-15
type binding
ligand FAD: FLAVIN-ADENINE DINUCLEOTIDE
sequence IGSGPAA
description FLAVIN-ADENINE DINUCLEOTIDE binding site
source pdb_hetatom : FAD_6bpy_A_401

71) chain A
residue 32-34
type binding
ligand FAD: FLAVIN-ADENINE DINUCLEOTIDE
sequence YEG
description FLAVIN-ADENINE DINUCLEOTIDE binding site
source pdb_hetatom : FAD_6bpy_A_401

72) chain A
residue 37-38
type binding
ligand FAD: FLAVIN-ADENINE DINUCLEOTIDE
sequence AN
description FLAVIN-ADENINE DINUCLEOTIDE binding site
source pdb_hetatom : FAD_6bpy_A_401

73) chain A
residue 40-46
type binding
ligand FAD: FLAVIN-ADENINE DINUCLEOTIDE
sequence TAAGGQL
description FLAVIN-ADENINE DINUCLEOTIDE binding site
source pdb_hetatom : FAD_6bpy_A_401

74) chain A
residue 48-49
type binding
ligand FAD: FLAVIN-ADENINE DINUCLEOTIDE
sequence TT
description FLAVIN-ADENINE DINUCLEOTIDE binding site
source pdb_hetatom : FAD_6bpy_A_401

75) chain A
residue 51-55
type binding
ligand FAD: FLAVIN-ADENINE DINUCLEOTIDE
sequence DIENF
description FLAVIN-ADENINE DINUCLEOTIDE binding site
source pdb_hetatom : FAD_6bpy_A_401

76) chain A
residue 85-87
type binding
ligand FAD: FLAVIN-ADENINE DINUCLEOTIDE
sequence ETI
description FLAVIN-ADENINE DINUCLEOTIDE binding site
source pdb_hetatom : FAD_6bpy_A_401

77) chain A
residue 121-126
type binding
ligand FAD: FLAVIN-ADENINE DINUCLEOTIDE
sequence ATGANA
description FLAVIN-ADENINE DINUCLEOTIDE binding site
source pdb_hetatom : FAD_6bpy_A_401

78) chain A
residue 138-139
type binding
ligand FAD: FLAVIN-ADENINE DINUCLEOTIDE
sequence WQ
description FLAVIN-ADENINE DINUCLEOTIDE binding site
source pdb_hetatom : FAD_6bpy_A_401

79) chain A
residue 143-145
type binding
ligand FAD: FLAVIN-ADENINE DINUCLEOTIDE
sequence SAC
description FLAVIN-ADENINE DINUCLEOTIDE binding site
source pdb_hetatom : FAD_6bpy_A_401

80) chain A
residue 148-149
type binding
ligand FAD: FLAVIN-ADENINE DINUCLEOTIDE
sequence CD
description FLAVIN-ADENINE DINUCLEOTIDE binding site
source pdb_hetatom : FAD_6bpy_A_401

81) chain A
residue 259
type binding
ligand FAD: FLAVIN-ADENINE DINUCLEOTIDE
sequence A
description FLAVIN-ADENINE DINUCLEOTIDE binding site
source pdb_hetatom : FAD_6bpy_A_401

82) chain A
residue 262
type binding
ligand FAD: FLAVIN-ADENINE DINUCLEOTIDE
sequence L
description FLAVIN-ADENINE DINUCLEOTIDE binding site
source pdb_hetatom : FAD_6bpy_A_401

83) chain A
residue 292-295
type binding
ligand FAD: FLAVIN-ADENINE DINUCLEOTIDE
sequence CGDV
description FLAVIN-ADENINE DINUCLEOTIDE binding site
source pdb_hetatom : FAD_6bpy_A_401

84) chain A
residue 301-304
type binding
ligand FAD: FLAVIN-ADENINE DINUCLEOTIDE
sequence RQAI
description FLAVIN-ADENINE DINUCLEOTIDE binding site
source pdb_hetatom : FAD_6bpy_A_401

85) chain A
residue 306
type binding
ligand FAD: FLAVIN-ADENINE DINUCLEOTIDE
sequence S
description FLAVIN-ADENINE DINUCLEOTIDE binding site
source pdb_hetatom : FAD_6bpy_A_401

86) chain A
residue 21
type binding
ligand FAD: FLAVIN-ADENINE DINUCLEOTIDE
sequence Y
description FLAVIN-ADENINE DINUCLEOTIDE binding site
source pdb_hetatom : FAD_6bpy_B_401

87) chain A
residue 24
type binding
ligand FMT: FORMIC ACID
sequence R
description FORMIC ACID binding site
source pdb_hetatom : FMT_6bpy_B_407

88) chain A
residue 78
type binding
ligand FMT: FORMIC ACID
sequence F
description FORMIC ACID binding site
source pdb_hetatom : FMT_6bpy_B_407

89) chain A
residue 50-51
type binding
ligand MLI: MALONATE ION
sequence TD
description MALONATE ION binding site
source pdb_hetatom : MLI_6bpy_A_402

90) chain A
residue 139-143
type binding
ligand MLI: MALONATE ION
sequence QNGIS
description MALONATE ION binding site
source pdb_hetatom : MLI_6bpy_A_402

91) chain A
residue 149
type binding
ligand MLI: MALONATE ION
sequence D
description MALONATE ION binding site
source pdb_hetatom : MLI_6bpy_A_402

92) chain A
residue 152
type binding
ligand MLI: MALONATE ION
sequence V
description MALONATE ION binding site
source pdb_hetatom : MLI_6bpy_A_402

93) chain A
residue 154-155
type binding
ligand MLI: MALONATE ION
sequence IF
description MALONATE ION binding site
source pdb_hetatom : MLI_6bpy_A_402

94) chain A
residue 53
type binding
ligand FMT: FORMIC ACID
sequence E
description FORMIC ACID binding site
source pdb_hetatom : FMT_6bpy_B_408

95) chain A
residue 151-153
type binding
ligand FMT: FORMIC ACID
sequence AVP
description FORMIC ACID binding site
source pdb_hetatom : FMT_6bpy_B_408

96) chain A
residue 127
type binding
ligand NAP: NADP NICOTINAMIDE-ADENINE-DINUCLEOTIDE PHOSPHATE
sequence R
description NADP NICOTINAMIDE-ADENINE-DINUCLEOTIDE PHOSPHATE binding site
source pdb_hetatom : NAP_6bpy_A_407

97) chain A
residue 129
type binding
ligand NAP: NADP NICOTINAMIDE-ADENINE-DINUCLEOTIDE PHOSPHATE
sequence L
description NADP NICOTINAMIDE-ADENINE-DINUCLEOTIDE PHOSPHATE binding site
source pdb_hetatom : NAP_6bpy_A_407

98) chain A
residue 163-168
type binding
ligand NAP: NADP NICOTINAMIDE-ADENINE-DINUCLEOTIDE PHOSPHATE
sequence IGGGDS
description NADP NICOTINAMIDE-ADENINE-DINUCLEOTIDE PHOSPHATE binding site
source pdb_hetatom : NAP_6bpy_A_407

99) chain A
residue 186
type binding
ligand NAP: NADP NICOTINAMIDE-ADENINE-DINUCLEOTIDE PHOSPHATE
sequence L
description NADP NICOTINAMIDE-ADENINE-DINUCLEOTIDE PHOSPHATE binding site
source pdb_hetatom : NAP_6bpy_A_407

100) chain A
residue 188-189
type binding
ligand NAP: NADP NICOTINAMIDE-ADENINE-DINUCLEOTIDE PHOSPHATE
sequence RR
description NADP NICOTINAMIDE-ADENINE-DINUCLEOTIDE PHOSPHATE binding site
source pdb_hetatom : NAP_6bpy_A_407

101) chain A
residue 193
type binding
ligand NAP: NADP NICOTINAMIDE-ADENINE-DINUCLEOTIDE PHOSPHATE
sequence R
description NADP NICOTINAMIDE-ADENINE-DINUCLEOTIDE PHOSPHATE binding site
source pdb_hetatom : NAP_6bpy_A_407

102) chain A
residue 215
type binding
ligand NAP: NADP NICOTINAMIDE-ADENINE-DINUCLEOTIDE PHOSPHATE
sequence V
description NADP NICOTINAMIDE-ADENINE-DINUCLEOTIDE PHOSPHATE binding site
source pdb_hetatom : NAP_6bpy_A_407

103) chain A
residue 253-255
type binding
ligand NAP: NADP NICOTINAMIDE-ADENINE-DINUCLEOTIDE PHOSPHATE
sequence AVG
description NADP NICOTINAMIDE-ADENINE-DINUCLEOTIDE PHOSPHATE binding site
source pdb_hetatom : NAP_6bpy_A_407

104) chain A
residue 131-136
type binding
ligand FMT: FORMIC ACID
sequence LPGEET
description FORMIC ACID binding site
source pdb_hetatom : FMT_6bpy_A_405

105) chain A
residue 147
type binding
ligand MLI: MALONATE ION
sequence V
description MALONATE ION binding site
source pdb_hetatom : MLI_6bpy_A_403

106) chain A
residue 171-172
type binding
ligand MLI: MALONATE ION
sequence EE
description MALONATE ION binding site
source pdb_hetatom : MLI_6bpy_A_403

107) chain A
residue 175
type binding
ligand MLI: MALONATE ION
sequence F
description MALONATE ION binding site
source pdb_hetatom : MLI_6bpy_A_403

108) chain A
residue 301
type binding
ligand MLI: MALONATE ION
sequence R
description MALONATE ION binding site
source pdb_hetatom : MLI_6bpy_A_403

109) chain A
residue 159
type binding
ligand ACT: ACETATE ION
sequence P
description ACETATE ION binding site
source pdb_hetatom : ACT_6bpy_A_408

110) chain A
residue 181-182
type binding
ligand ACT: ACETATE ION
sequence SS
description ACETATE ION binding site
source pdb_hetatom : ACT_6bpy_A_408

111) chain A
residue 171
type binding
ligand FMT: FORMIC ACID
sequence E
description FORMIC ACID binding site
source pdb_hetatom : FMT_6bpy_A_406

112) chain A
residue 299-300
type binding
ligand FMT: FORMIC ACID
sequence RY
description FORMIC ACID binding site
source pdb_hetatom : FMT_6bpy_A_406

113) chain A
residue 280-281
type binding
ligand MLT: D-MALATE
sequence GT
description D-MALATE binding site
source pdb_hetatom : MLT_6bpy_B_410

114) chain A
residue 296
type binding
ligand MLT: D-MALATE
sequence Q
description D-MALATE binding site
source pdb_hetatom : MLT_6bpy_B_410

115) chain A
residue 305
type binding
ligand MLT: D-MALATE
sequence T
description D-MALATE binding site
source pdb_hetatom : MLT_6bpy_B_410

116) chain A
residue 308-309
type binding
ligand MLT: D-MALATE
sequence GS
description D-MALATE binding site
source pdb_hetatom : MLT_6bpy_B_410

117) chain A
residue 312
type binding
ligand MLT: D-MALATE
sequence I
description D-MALATE binding site
source pdb_hetatom : MLT_6bpy_B_410

118) chain A
residue 315
type binding
ligand MLI: MALONATE ION
sequence L
description MALONATE ION binding site
source pdb_hetatom : MLI_6bpy_A_404

119) chain A
residue 318-319
type binding
ligand MLI: MALONATE ION
sequence EK
description MALONATE ION binding site
source pdb_hetatom : MLI_6bpy_A_404

120) chain A
residue 315-316
type binding
ligand FMT: FORMIC ACID
sequence LE
description FORMIC ACID binding site
source pdb_hetatom : FMT_6bpy_B_406

121) chain A
residue 319
type binding
ligand FMT: FORMIC ACID
sequence K
description FORMIC ACID binding site
source pdb_hetatom : FMT_6bpy_B_406


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