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

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Title Aspergillus fumigatus Thioredoxin Reductase
Classification OXIDOREDUCTASE
Compound Thioredoxin reductase
Source (A0A229Y1X4_ASPFM)
Sequence B:  MVHTKVVIIGSGPAAHTAAIYLSRAELKPVLYEGMLGQLT
TTTDIENFPGFPDGIGGAELMENMRKQSIRFGTEVITETI
SRVDLSSKPFKLWTEWNDGPDKEPACTADAVIIATGANAR
RLNLPGEETYWQNGISACAVCDGAVPIFRNKPLYVIGGGD
SAAEEAMFLAKYGSSVTVLVRRDKLRASKAMAKRLLAHPK
VTVRFNTVATEVLGEKKPNGLMTHLRIKNTVTGEEEIVDA
NGLFYAVGHDPATALVKGQIDLDEDGYIITKPGTSYTSRE
GVFACGDVQDKRYRQAITSAGSGCIAALEAEKFIAEAES
Description (1)  Thioredoxin reductase (E.C.1.8.1.9)


Functional site

1) chain B
residue 315
type
ligand
sequence L
description binding site for residue MLI A 403
source : AC3

2) chain B
residue 147
type
ligand
sequence V
description binding site for residue MLI A 404
source : AC4

3) chain B
residue 171
type
ligand
sequence E
description binding site for residue MLI A 404
source : AC4

4) chain B
residue 319
type
ligand
sequence K
description binding site for residue FMT A 406
source : AC6

5) chain B
residue 9
type
ligand
sequence I
description binding site for residue FAD B 401
source : AC9

6) chain B
residue 10
type
ligand
sequence G
description binding site for residue FAD B 401
source : AC9

7) chain B
residue 11
type
ligand
sequence S
description binding site for residue FAD B 401
source : AC9

8) chain B
residue 12
type
ligand
sequence G
description binding site for residue FAD B 401
source : AC9

9) chain B
residue 13
type
ligand
sequence P
description binding site for residue FAD B 401
source : AC9

10) chain B
residue 14
type
ligand
sequence A
description binding site for residue FAD B 401
source : AC9

11) chain B
residue 32
type
ligand
sequence Y
description binding site for residue FAD B 401
source : AC9

12) chain B
residue 33
type
ligand
sequence E
description binding site for residue FAD B 401
source : AC9

13) chain B
residue 34
type
ligand
sequence G
description binding site for residue FAD B 401
source : AC9

14) chain B
residue 44
type
ligand
sequence G
description binding site for residue FAD B 401
source : AC9

15) chain B
residue 45
type
ligand
sequence Q
description binding site for residue FAD B 401
source : AC9

16) chain B
residue 46
type
ligand
sequence L
description binding site for residue FAD B 401
source : AC9

17) chain B
residue 49
type
ligand
sequence T
description binding site for residue FAD B 401
source : AC9

18) chain B
residue 52
type
ligand
sequence I
description binding site for residue FAD B 401
source : AC9

19) chain B
residue 54
type
ligand
sequence N
description binding site for residue FAD B 401
source : AC9

20) chain B
residue 87
type
ligand
sequence I
description binding site for residue FAD B 401
source : AC9

21) chain B
residue 122
type
ligand
sequence T
description binding site for residue FAD B 401
source : AC9

22) chain B
residue 123
type
ligand
sequence G
description binding site for residue FAD B 401
source : AC9

23) chain B
residue 138
type
ligand
sequence W
description binding site for residue FAD B 401
source : AC9

24) chain B
residue 139
type
ligand
sequence Q
description binding site for residue FAD B 401
source : AC9

25) chain B
residue 148
type
ligand
sequence C
description binding site for residue FAD B 401
source : AC9

26) chain B
residue 262
type
ligand
sequence L
description binding site for residue FAD B 401
source : AC9

27) chain B
residue 293
type
ligand
sequence G
description binding site for residue FAD B 401
source : AC9

28) chain B
residue 294
type
ligand
sequence D
description binding site for residue FAD B 401
source : AC9

29) chain B
residue 301
type
ligand
sequence R
description binding site for residue FAD B 401
source : AC9

30) chain B
residue 302
type
ligand
sequence Q
description binding site for residue FAD B 401
source : AC9

31) chain B
residue 303
type
ligand
sequence A
description binding site for residue FAD B 401
source : AC9

32) chain B
residue 306
type
ligand
sequence S
description binding site for residue FAD B 401
source : AC9

33) chain B
residue 50
type
ligand
sequence T
description binding site for residue MLI B 403
source : AD2

34) chain B
residue 139
type
ligand
sequence Q
description binding site for residue MLI B 403
source : AD2

35) chain B
residue 140
type
ligand
sequence N
description binding site for residue MLI B 403
source : AD2

36) chain B
residue 141
type
ligand
sequence G
description binding site for residue MLI B 403
source : AD2

37) chain B
residue 149
type
ligand
sequence D
description binding site for residue MLI B 403
source : AD2

38) chain B
residue 152
type
ligand
sequence V
description binding site for residue MLI B 403
source : AD2

39) chain B
residue 133
type
ligand
sequence G
description binding site for residue FMT B 404
source : AD3

40) chain B
residue 136
type
ligand
sequence T
description binding site for residue FMT B 404
source : AD3

41) chain B
residue 181
type
ligand
sequence S
description binding site for residue FMT B 405
source : AD4

42) chain B
residue 182
type
ligand
sequence S
description binding site for residue FMT B 405
source : AD4

43) chain B
residue 299
type
ligand
sequence R
description binding site for residue FMT B 406
source : AD5

44) chain B
residue 53
type
ligand
sequence E
description binding site for residue FMT B 407
source : AD6

45) chain B
residue 151
type
ligand
sequence A
description binding site for residue FMT B 407
source : AD6

46) chain B
residue 24
type
ligand
sequence R
description binding site for residue FMT B 408
source : AD7

47) chain B
residue 78
type
ligand
sequence F
description binding site for residue FMT B 408
source : AD7

48) chain B
residue 129
type
ligand
sequence L
description binding site for residue NAP B 409
source : AD8

49) chain B
residue 165
type
ligand
sequence G
description binding site for residue NAP B 409
source : AD8

50) chain B
residue 166
type
ligand
sequence G
description binding site for residue NAP B 409
source : AD8

51) chain B
residue 168
type
ligand
sequence S
description binding site for residue NAP B 409
source : AD8

52) chain B
residue 188
type
ligand
sequence R
description binding site for residue NAP B 409
source : AD8

53) chain B
residue 193
type
ligand
sequence R
description binding site for residue NAP B 409
source : AD8

54) chain B
residue 254
type
ligand
sequence V
description binding site for residue NAP B 409
source : AD8

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

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

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

58) chain B
residue 312
type
ligand
sequence I
description binding site for residue MLT B 410
source : AD9

59) chain B
residue 21
type binding
ligand FAD: FLAVIN-ADENINE DINUCLEOTIDE
sequence Y
description FLAVIN-ADENINE DINUCLEOTIDE binding site
source pdb_hetatom : FAD_6bpy_A_401

60) chain B
residue 9-15
type binding
ligand FAD: FLAVIN-ADENINE DINUCLEOTIDE
sequence IGSGPAA
description FLAVIN-ADENINE DINUCLEOTIDE binding site
source pdb_hetatom : FAD_6bpy_B_401

61) chain B
residue 32-34
type binding
ligand FAD: FLAVIN-ADENINE DINUCLEOTIDE
sequence YEG
description FLAVIN-ADENINE DINUCLEOTIDE binding site
source pdb_hetatom : FAD_6bpy_B_401

62) chain B
residue 36
type binding
ligand FAD: FLAVIN-ADENINE DINUCLEOTIDE
sequence L
description FLAVIN-ADENINE DINUCLEOTIDE binding site
source pdb_hetatom : FAD_6bpy_B_401

63) chain B
residue 44-46
type binding
ligand FAD: FLAVIN-ADENINE DINUCLEOTIDE
sequence GQL
description FLAVIN-ADENINE DINUCLEOTIDE binding site
source pdb_hetatom : FAD_6bpy_B_401

64) chain B
residue 48-49
type binding
ligand FAD: FLAVIN-ADENINE DINUCLEOTIDE
sequence TT
description FLAVIN-ADENINE DINUCLEOTIDE binding site
source pdb_hetatom : FAD_6bpy_B_401

65) chain B
residue 51-55
type binding
ligand FAD: FLAVIN-ADENINE DINUCLEOTIDE
sequence DIENF
description FLAVIN-ADENINE DINUCLEOTIDE binding site
source pdb_hetatom : FAD_6bpy_B_401

66) chain B
residue 85-87
type binding
ligand FAD: FLAVIN-ADENINE DINUCLEOTIDE
sequence ETI
description FLAVIN-ADENINE DINUCLEOTIDE binding site
source pdb_hetatom : FAD_6bpy_B_401

67) chain B
residue 121-126
type binding
ligand FAD: FLAVIN-ADENINE DINUCLEOTIDE
sequence ATGANA
description FLAVIN-ADENINE DINUCLEOTIDE binding site
source pdb_hetatom : FAD_6bpy_B_401

68) chain B
residue 138-139
type binding
ligand FAD: FLAVIN-ADENINE DINUCLEOTIDE
sequence WQ
description FLAVIN-ADENINE DINUCLEOTIDE binding site
source pdb_hetatom : FAD_6bpy_B_401

69) chain B
residue 143-145
type binding
ligand FAD: FLAVIN-ADENINE DINUCLEOTIDE
sequence SAC
description FLAVIN-ADENINE DINUCLEOTIDE binding site
source pdb_hetatom : FAD_6bpy_B_401

70) chain B
residue 148-149
type binding
ligand FAD: FLAVIN-ADENINE DINUCLEOTIDE
sequence CD
description FLAVIN-ADENINE DINUCLEOTIDE binding site
source pdb_hetatom : FAD_6bpy_B_401

71) chain B
residue 259
type binding
ligand FAD: FLAVIN-ADENINE DINUCLEOTIDE
sequence A
description FLAVIN-ADENINE DINUCLEOTIDE binding site
source pdb_hetatom : FAD_6bpy_B_401

72) chain B
residue 262
type binding
ligand FAD: FLAVIN-ADENINE DINUCLEOTIDE
sequence L
description FLAVIN-ADENINE DINUCLEOTIDE binding site
source pdb_hetatom : FAD_6bpy_B_401

73) chain B
residue 292-295
type binding
ligand FAD: FLAVIN-ADENINE DINUCLEOTIDE
sequence CGDV
description FLAVIN-ADENINE DINUCLEOTIDE binding site
source pdb_hetatom : FAD_6bpy_B_401

74) chain B
residue 301-304
type binding
ligand FAD: FLAVIN-ADENINE DINUCLEOTIDE
sequence RQAI
description FLAVIN-ADENINE DINUCLEOTIDE binding site
source pdb_hetatom : FAD_6bpy_B_401

75) chain B
residue 306
type binding
ligand FAD: FLAVIN-ADENINE DINUCLEOTIDE
sequence S
description FLAVIN-ADENINE DINUCLEOTIDE binding site
source pdb_hetatom : FAD_6bpy_B_401

76) chain B
residue 53
type binding
ligand FMT: FORMIC ACID
sequence E
description FORMIC ACID binding site
source pdb_hetatom : FMT_6bpy_B_407

77) chain B
residue 151-153
type binding
ligand FMT: FORMIC ACID
sequence AVP
description FORMIC ACID binding site
source pdb_hetatom : FMT_6bpy_B_407

78) chain B
residue 156
type binding
ligand FMT: FORMIC ACID
sequence R
description FORMIC ACID binding site
source pdb_hetatom : FMT_6bpy_B_407

79) chain B
residue 24
type binding
ligand FMT: FORMIC ACID
sequence R
description FORMIC ACID binding site
source pdb_hetatom : FMT_6bpy_B_408

80) chain B
residue 77-78
type binding
ligand FMT: FORMIC ACID
sequence RF
description FORMIC ACID binding site
source pdb_hetatom : FMT_6bpy_B_408

81) chain B
residue 315
type binding
ligand MLI: MALONATE ION
sequence L
description MALONATE ION binding site
source pdb_hetatom : MLI_6bpy_A_403

82) chain B
residue 318-319
type binding
ligand MLI: MALONATE ION
sequence EK
description MALONATE ION binding site
source pdb_hetatom : MLI_6bpy_A_403

83) chain B
residue 283
type binding
ligand FMT: FORMIC ACID
sequence Y
description FORMIC ACID binding site
source pdb_hetatom : FMT_6bpy_A_406

84) chain B
residue 315-316
type binding
ligand FMT: FORMIC ACID
sequence LE
description FORMIC ACID binding site
source pdb_hetatom : FMT_6bpy_A_406

85) chain B
residue 319
type binding
ligand FMT: FORMIC ACID
sequence K
description FORMIC ACID binding site
source pdb_hetatom : FMT_6bpy_A_406

86) chain B
residue 280
type binding
ligand MLT: D-MALATE
sequence G
description D-MALATE binding site
source pdb_hetatom : MLT_6bpy_B_410

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

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

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

90) chain B
residue 146-147
type binding
ligand MLI: MALONATE ION
sequence AV
description MALONATE ION binding site
source pdb_hetatom : MLI_6bpy_A_404

91) chain B
residue 171-172
type binding
ligand MLI: MALONATE ION
sequence EE
description MALONATE ION binding site
source pdb_hetatom : MLI_6bpy_A_404

92) chain B
residue 175
type binding
ligand MLI: MALONATE ION
sequence F
description MALONATE ION binding site
source pdb_hetatom : MLI_6bpy_A_404

93) chain B
residue 301
type binding
ligand MLI: MALONATE ION
sequence R
description MALONATE ION binding site
source pdb_hetatom : MLI_6bpy_A_404

94) chain B
residue 171
type binding
ligand FMT: FORMIC ACID
sequence E
description FORMIC ACID binding site
source pdb_hetatom : FMT_6bpy_B_406

95) chain B
residue 299-300
type binding
ligand FMT: FORMIC ACID
sequence RY
description FORMIC ACID binding site
source pdb_hetatom : FMT_6bpy_B_406

96) chain B
residue 49-51
type binding
ligand MLI: MALONATE ION
sequence TTD
description MALONATE ION binding site
source pdb_hetatom : MLI_6bpy_B_403

97) chain B
residue 139-143
type binding
ligand MLI: MALONATE ION
sequence QNGIS
description MALONATE ION binding site
source pdb_hetatom : MLI_6bpy_B_403

98) chain B
residue 149
type binding
ligand MLI: MALONATE ION
sequence D
description MALONATE ION binding site
source pdb_hetatom : MLI_6bpy_B_403

99) chain B
residue 152
type binding
ligand MLI: MALONATE ION
sequence V
description MALONATE ION binding site
source pdb_hetatom : MLI_6bpy_B_403

100) chain B
residue 154-155
type binding
ligand MLI: MALONATE ION
sequence IF
description MALONATE ION binding site
source pdb_hetatom : MLI_6bpy_B_403

101) chain B
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_B_409

102) chain B
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_B_409

103) chain B
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_B_409

104) chain B
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_B_409

105) chain B
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_B_409

106) chain B
residue 131-136
type binding
ligand FMT: FORMIC ACID
sequence LPGEET
description FORMIC ACID binding site
source pdb_hetatom : FMT_6bpy_B_404

107) chain B
residue 159
type binding
ligand FMT: FORMIC ACID
sequence P
description FORMIC ACID binding site
source pdb_hetatom : FMT_6bpy_B_405

108) chain B
residue 181-182
type binding
ligand FMT: FORMIC ACID
sequence SS
description FORMIC ACID binding site
source pdb_hetatom : FMT_6bpy_B_405

109) chain B
residue 278
type binding
ligand MLI: MALONATE ION
sequence K
description MALONATE ION binding site
source pdb_hetatom : MLI_6bpy_B_402

110) chain B
residue 283-284
type binding
ligand MLI: MALONATE ION
sequence YT
description MALONATE ION binding site
source pdb_hetatom : MLI_6bpy_B_402


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