eF-site ID 1g6k-EF
PDB Code 1g6k
Chain E, F

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Title Crystal structure of glucose dehydrogenase mutant E96A complexed with NAD+
Classification OXIDOREDUCTASE
Compound GLUCOSE 1-DEHYDROGENASE
Source Bacillus megaterium (DHG_BACME)
Sequence E:  MYKDLEGKVVVITGSSTGLGKSMAIRFATEKAKVVVNYRS
KEDEANSVLEEIKKVGGEAIAVKGDVTVESDVINLVQSAI
KEFGKLDVMINNAGLANPVSSHEMSLSDWNKVIDTNLTGA
FLGSREAIKYFVENDIKGTVINMSSVHEKIPWPLFVHYAA
SKGGMKLMTETLALEYAPKGIRVNNIGPGAINTPINAEKF
ADPEQRADVESMIPMGYIGEPEEIAAVAAWLASSEASYVT
GITLFADGGMTQYPSFQAGRG
F:  MYKDLEGKVVVITGSSTGLGKSMAIRFATEKAKVVVNYRS
KEDEANSVLEEIKKVGGEAIAVKGDVTVESDVINLVQSAI
KEFGKLDVMINNAGLANPVSSHEMSLSDWNKVIDTNLTGA
FLGSREAIKYFVENDIKGTVINMSSVHEKIPWPLFVHYAA
SKGGMKLMTETLALEYAPKGIRVNNIGPGAINTPINAEKF
ADPEQRADVESMIPMGYIGEPEEIAAVAAWLASSEASYVT
GITLFADGGMTQYPSFQAGRG
Description (1)  GLUCOSE 1-DEHYDROGENASE(E.C.1.1.1.47)


Functional site

1) chain E
residue 14
type
ligand
sequence G
description BINDING SITE FOR RESIDUE NAD E 3262
source : AC3

2) chain E
residue 17
type
ligand
sequence T
description BINDING SITE FOR RESIDUE NAD E 3262
source : AC3

3) chain E
residue 18
type
ligand
sequence G
description BINDING SITE FOR RESIDUE NAD E 3262
source : AC3

4) chain E
residue 19
type
ligand
sequence L
description BINDING SITE FOR RESIDUE NAD E 3262
source : AC3

5) chain E
residue 39
type
ligand
sequence R
description BINDING SITE FOR RESIDUE NAD E 3262
source : AC3

6) chain E
residue 64
type
ligand
sequence G
description BINDING SITE FOR RESIDUE NAD E 3262
source : AC3

7) chain E
residue 65
type
ligand
sequence D
description BINDING SITE FOR RESIDUE NAD E 3262
source : AC3

8) chain E
residue 66
type
ligand
sequence V
description BINDING SITE FOR RESIDUE NAD E 3262
source : AC3

9) chain E
residue 92
type
ligand
sequence N
description BINDING SITE FOR RESIDUE NAD E 3262
source : AC3

10) chain E
residue 93
type
ligand
sequence A
description BINDING SITE FOR RESIDUE NAD E 3262
source : AC3

11) chain E
residue 94
type
ligand
sequence G
description BINDING SITE FOR RESIDUE NAD E 3262
source : AC3

12) chain E
residue 115
type
ligand
sequence T
description BINDING SITE FOR RESIDUE NAD E 3262
source : AC3

13) chain E
residue 143
type
ligand
sequence M
description BINDING SITE FOR RESIDUE NAD E 3262
source : AC3

14) chain E
residue 144
type
ligand
sequence S
description BINDING SITE FOR RESIDUE NAD E 3262
source : AC3

15) chain E
residue 145
type
ligand
sequence S
description BINDING SITE FOR RESIDUE NAD E 3262
source : AC3

16) chain E
residue 158
type
ligand
sequence Y
description BINDING SITE FOR RESIDUE NAD E 3262
source : AC3

17) chain E
residue 162
type
ligand
sequence K
description BINDING SITE FOR RESIDUE NAD E 3262
source : AC3

18) chain E
residue 188
type
ligand
sequence P
description BINDING SITE FOR RESIDUE NAD E 3262
source : AC3

19) chain E
residue 189
type
ligand
sequence G
description BINDING SITE FOR RESIDUE NAD E 3262
source : AC3

20) chain E
residue 191
type
ligand
sequence I
description BINDING SITE FOR RESIDUE NAD E 3262
source : AC3

21) chain E
residue 193
type
ligand
sequence T
description BINDING SITE FOR RESIDUE NAD E 3262
source : AC3

22) chain E
residue 195
type
ligand
sequence I
description BINDING SITE FOR RESIDUE NAD E 3262
source : AC3

23) chain E
residue 196
type
ligand
sequence N
description BINDING SITE FOR RESIDUE NAD E 3262
source : AC3

24) chain F
residue 14
type
ligand
sequence G
description BINDING SITE FOR RESIDUE NAD F 4262
source : AC4

25) chain F
residue 17
type
ligand
sequence T
description BINDING SITE FOR RESIDUE NAD F 4262
source : AC4

26) chain F
residue 18
type
ligand
sequence G
description BINDING SITE FOR RESIDUE NAD F 4262
source : AC4

27) chain F
residue 19
type
ligand
sequence L
description BINDING SITE FOR RESIDUE NAD F 4262
source : AC4

28) chain F
residue 64
type
ligand
sequence G
description BINDING SITE FOR RESIDUE NAD F 4262
source : AC4

29) chain F
residue 65
type
ligand
sequence D
description BINDING SITE FOR RESIDUE NAD F 4262
source : AC4

30) chain F
residue 66
type
ligand
sequence V
description BINDING SITE FOR RESIDUE NAD F 4262
source : AC4

31) chain F
residue 92
type
ligand
sequence N
description BINDING SITE FOR RESIDUE NAD F 4262
source : AC4

32) chain F
residue 93
type
ligand
sequence A
description BINDING SITE FOR RESIDUE NAD F 4262
source : AC4

33) chain F
residue 94
type
ligand
sequence G
description BINDING SITE FOR RESIDUE NAD F 4262
source : AC4

34) chain F
residue 115
type
ligand
sequence T
description BINDING SITE FOR RESIDUE NAD F 4262
source : AC4

35) chain F
residue 143
type
ligand
sequence M
description BINDING SITE FOR RESIDUE NAD F 4262
source : AC4

36) chain F
residue 144
type
ligand
sequence S
description BINDING SITE FOR RESIDUE NAD F 4262
source : AC4

37) chain F
residue 145
type
ligand
sequence S
description BINDING SITE FOR RESIDUE NAD F 4262
source : AC4

38) chain F
residue 158
type
ligand
sequence Y
description BINDING SITE FOR RESIDUE NAD F 4262
source : AC4

39) chain F
residue 162
type
ligand
sequence K
description BINDING SITE FOR RESIDUE NAD F 4262
source : AC4

40) chain F
residue 188
type
ligand
sequence P
description BINDING SITE FOR RESIDUE NAD F 4262
source : AC4

41) chain F
residue 189
type
ligand
sequence G
description BINDING SITE FOR RESIDUE NAD F 4262
source : AC4

42) chain F
residue 191
type
ligand
sequence I
description BINDING SITE FOR RESIDUE NAD F 4262
source : AC4

43) chain F
residue 193
type
ligand
sequence T
description BINDING SITE FOR RESIDUE NAD F 4262
source : AC4

44) chain F
residue 195
type
ligand
sequence I
description BINDING SITE FOR RESIDUE NAD F 4262
source : AC4

45) chain F
residue 196
type
ligand
sequence N
description BINDING SITE FOR RESIDUE NAD F 4262
source : AC4

46) chain E
residue 158
type ACT_SITE
ligand
sequence Y
description Proton acceptor.
source Swiss-Prot : SWS_FT_FI7

47) chain E
residue 145
type BINDING
ligand
sequence S
description Substrate (By similarity).
source Swiss-Prot : SWS_FT_FI8

48) chain E
residue 11-35
type NP_BIND
ligand
sequence VITGSSTGLGKSMAIRFATEKAKVV
description NADP.
source Swiss-Prot : SWS_FT_FI9

49) chain F
residue 158
type ACT_SITE
ligand
sequence Y
description Proton acceptor.
source Swiss-Prot : SWS_FT_FI10

50) chain F
residue 145
type BINDING
ligand
sequence S
description Substrate (By similarity).
source Swiss-Prot : SWS_FT_FI11

51) chain F
residue 11-35
type NP_BIND
ligand
sequence VITGSSTGLGKSMAIRFATEKAKVV
description NADP.
source Swiss-Prot : SWS_FT_FI12

52) chain E
residue 145-173
type prosite
ligand
sequence SVHEKIPWPLFVHYAASKGGMKLMTETLA
description Short-chain dehydrogenases/reductases family signature. [LIVSPADNK]-x(9)-{P}-x(2)-Y-[PSTAGNCV]-[STAGNQCIVM]-[STAGC]-K-{PC}
source prosite : PS00061

53) chain F
residue 145-173
type prosite
ligand
sequence SVHEKIPWPLFVHYAASKGGMKLMTETLA
description Short-chain dehydrogenases/reductases family signature. [LIVSPADNK]-x(9)-{P}-x(2)-Y-[PSTAGNCV]-[STAGNQCIVM]-[STAGC]-K-{PC}
source prosite : PS00061

54) chain E
residue 14
type binding
ligand NAD: NICOTINAMIDE-ADENINE-DINUCLEOTIDE
sequence G
description NICOTINAMIDE-ADENINE-DINUCLEOTIDE binding site
source pdb_hetatom : NAD_1g6k_E_3262

55) chain E
residue 16-20
type binding
ligand NAD: NICOTINAMIDE-ADENINE-DINUCLEOTIDE
sequence STGLG
description NICOTINAMIDE-ADENINE-DINUCLEOTIDE binding site
source pdb_hetatom : NAD_1g6k_E_3262

56) chain E
residue 37
type binding
ligand NAD: NICOTINAMIDE-ADENINE-DINUCLEOTIDE
sequence N
description NICOTINAMIDE-ADENINE-DINUCLEOTIDE binding site
source pdb_hetatom : NAD_1g6k_E_3262

57) chain E
residue 39
type binding
ligand NAD: NICOTINAMIDE-ADENINE-DINUCLEOTIDE
sequence R
description NICOTINAMIDE-ADENINE-DINUCLEOTIDE binding site
source pdb_hetatom : NAD_1g6k_E_3262

58) chain E
residue 64-67
type binding
ligand NAD: NICOTINAMIDE-ADENINE-DINUCLEOTIDE
sequence GDVT
description NICOTINAMIDE-ADENINE-DINUCLEOTIDE binding site
source pdb_hetatom : NAD_1g6k_E_3262

59) chain E
residue 92-95
type binding
ligand NAD: NICOTINAMIDE-ADENINE-DINUCLEOTIDE
sequence NAGL
description NICOTINAMIDE-ADENINE-DINUCLEOTIDE binding site
source pdb_hetatom : NAD_1g6k_E_3262

60) chain E
residue 115
type binding
ligand NAD: NICOTINAMIDE-ADENINE-DINUCLEOTIDE
sequence T
description NICOTINAMIDE-ADENINE-DINUCLEOTIDE binding site
source pdb_hetatom : NAD_1g6k_E_3262

61) chain E
residue 143-145
type binding
ligand NAD: NICOTINAMIDE-ADENINE-DINUCLEOTIDE
sequence MSS
description NICOTINAMIDE-ADENINE-DINUCLEOTIDE binding site
source pdb_hetatom : NAD_1g6k_E_3262

62) chain E
residue 158
type binding
ligand NAD: NICOTINAMIDE-ADENINE-DINUCLEOTIDE
sequence Y
description NICOTINAMIDE-ADENINE-DINUCLEOTIDE binding site
source pdb_hetatom : NAD_1g6k_E_3262

63) chain E
residue 162
type binding
ligand NAD: NICOTINAMIDE-ADENINE-DINUCLEOTIDE
sequence K
description NICOTINAMIDE-ADENINE-DINUCLEOTIDE binding site
source pdb_hetatom : NAD_1g6k_E_3262

64) chain E
residue 188-191
type binding
ligand NAD: NICOTINAMIDE-ADENINE-DINUCLEOTIDE
sequence PGAI
description NICOTINAMIDE-ADENINE-DINUCLEOTIDE binding site
source pdb_hetatom : NAD_1g6k_E_3262

65) chain E
residue 193-196
type binding
ligand NAD: NICOTINAMIDE-ADENINE-DINUCLEOTIDE
sequence TPIN
description NICOTINAMIDE-ADENINE-DINUCLEOTIDE binding site
source pdb_hetatom : NAD_1g6k_E_3262

66) chain F
residue 14
type binding
ligand NAD: NICOTINAMIDE-ADENINE-DINUCLEOTIDE
sequence G
description NICOTINAMIDE-ADENINE-DINUCLEOTIDE binding site
source pdb_hetatom : NAD_1g6k_F_4262

67) chain F
residue 16-20
type binding
ligand NAD: NICOTINAMIDE-ADENINE-DINUCLEOTIDE
sequence STGLG
description NICOTINAMIDE-ADENINE-DINUCLEOTIDE binding site
source pdb_hetatom : NAD_1g6k_F_4262

68) chain F
residue 37
type binding
ligand NAD: NICOTINAMIDE-ADENINE-DINUCLEOTIDE
sequence N
description NICOTINAMIDE-ADENINE-DINUCLEOTIDE binding site
source pdb_hetatom : NAD_1g6k_F_4262

69) chain F
residue 39
type binding
ligand NAD: NICOTINAMIDE-ADENINE-DINUCLEOTIDE
sequence R
description NICOTINAMIDE-ADENINE-DINUCLEOTIDE binding site
source pdb_hetatom : NAD_1g6k_F_4262

70) chain F
residue 44
type binding
ligand NAD: NICOTINAMIDE-ADENINE-DINUCLEOTIDE
sequence E
description NICOTINAMIDE-ADENINE-DINUCLEOTIDE binding site
source pdb_hetatom : NAD_1g6k_F_4262

71) chain F
residue 64-67
type binding
ligand NAD: NICOTINAMIDE-ADENINE-DINUCLEOTIDE
sequence GDVT
description NICOTINAMIDE-ADENINE-DINUCLEOTIDE binding site
source pdb_hetatom : NAD_1g6k_F_4262

72) chain F
residue 92-95
type binding
ligand NAD: NICOTINAMIDE-ADENINE-DINUCLEOTIDE
sequence NAGL
description NICOTINAMIDE-ADENINE-DINUCLEOTIDE binding site
source pdb_hetatom : NAD_1g6k_F_4262

73) chain F
residue 115
type binding
ligand NAD: NICOTINAMIDE-ADENINE-DINUCLEOTIDE
sequence T
description NICOTINAMIDE-ADENINE-DINUCLEOTIDE binding site
source pdb_hetatom : NAD_1g6k_F_4262

74) chain F
residue 143-146
type binding
ligand NAD: NICOTINAMIDE-ADENINE-DINUCLEOTIDE
sequence MSSV
description NICOTINAMIDE-ADENINE-DINUCLEOTIDE binding site
source pdb_hetatom : NAD_1g6k_F_4262

75) chain F
residue 158
type binding
ligand NAD: NICOTINAMIDE-ADENINE-DINUCLEOTIDE
sequence Y
description NICOTINAMIDE-ADENINE-DINUCLEOTIDE binding site
source pdb_hetatom : NAD_1g6k_F_4262

76) chain F
residue 162
type binding
ligand NAD: NICOTINAMIDE-ADENINE-DINUCLEOTIDE
sequence K
description NICOTINAMIDE-ADENINE-DINUCLEOTIDE binding site
source pdb_hetatom : NAD_1g6k_F_4262

77) chain F
residue 188-191
type binding
ligand NAD: NICOTINAMIDE-ADENINE-DINUCLEOTIDE
sequence PGAI
description NICOTINAMIDE-ADENINE-DINUCLEOTIDE binding site
source pdb_hetatom : NAD_1g6k_F_4262

78) chain F
residue 193-196
type binding
ligand NAD: NICOTINAMIDE-ADENINE-DINUCLEOTIDE
sequence TPIN
description NICOTINAMIDE-ADENINE-DINUCLEOTIDE binding site
source pdb_hetatom : NAD_1g6k_F_4262

79) chain E
residue 145
type catalytic
ligand
sequence S
description Annotated By Reference To The Literature 1eq2
source CSA : CSA3

80) chain E
residue 158
type catalytic
ligand
sequence Y
description Annotated By Reference To The Literature 1eq2
source CSA : CSA3

81) chain E
residue 162
type catalytic
ligand
sequence K
description Annotated By Reference To The Literature 1eq2
source CSA : CSA3

82) chain F
residue 145
type catalytic
ligand
sequence S
description Annotated By Reference To The Literature 1eq2
source CSA : CSA4

83) chain F
residue 158
type catalytic
ligand
sequence Y
description Annotated By Reference To The Literature 1eq2
source CSA : CSA4

84) chain F
residue 162
type catalytic
ligand
sequence K
description Annotated By Reference To The Literature 1eq2
source CSA : CSA4

85) chain E
residue 145
type catalytic
ligand
sequence S
description Annotated By Reference To The Literature 1eq2
source CSA : CSA7

86) chain E
residue 158
type catalytic
ligand
sequence Y
description Annotated By Reference To The Literature 1eq2
source CSA : CSA7

87) chain E
residue 116
type catalytic
ligand
sequence N
description Annotated By Reference To The Literature 1eq2
source CSA : CSA7

88) chain E
residue 162
type catalytic
ligand
sequence K
description Annotated By Reference To The Literature 1eq2
source CSA : CSA7

89) chain F
residue 145
type catalytic
ligand
sequence S
description Annotated By Reference To The Literature 1eq2
source CSA : CSA8

90) chain F
residue 158
type catalytic
ligand
sequence Y
description Annotated By Reference To The Literature 1eq2
source CSA : CSA8

91) chain F
residue 116
type catalytic
ligand
sequence N
description Annotated By Reference To The Literature 1eq2
source CSA : CSA8

92) chain F
residue 162
type catalytic
ligand
sequence K
description Annotated By Reference To The Literature 1eq2
source CSA : CSA8

93) chain E
residue 155
type catalytic
ligand
sequence F
description Annotated By Reference To The Literature 1eq2
source CSA : CSA11

94) chain E
residue 162
type catalytic
ligand
sequence K
description Annotated By Reference To The Literature 1eq2
source CSA : CSA11

95) chain F
residue 155
type catalytic
ligand
sequence F
description Annotated By Reference To The Literature 1eq2
source CSA : CSA12

96) chain F
residue 162
type catalytic
ligand
sequence K
description Annotated By Reference To The Literature 1eq2
source CSA : CSA12

97) chain E
residue 158
type catalytic
ligand
sequence Y
description Annotated By Reference To The Literature 1eq2
source CSA : CSA15

98) chain E
residue 162
type catalytic
ligand
sequence K
description Annotated By Reference To The Literature 1eq2
source CSA : CSA15

99) chain F
residue 158
type catalytic
ligand
sequence Y
description Annotated By Reference To The Literature 1eq2
source CSA : CSA16

100) chain F
residue 162
type catalytic
ligand
sequence K
description Annotated By Reference To The Literature 1eq2
source CSA : CSA16


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