eF-site ID 1g6k-AB
PDB Code 1g6k
Chain A, B

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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 A:  MYKDLEGKVVVITGSSTGLGKSMAIRFATEKAKVVVNYRS
KEDEANSVLEEIKKVGGEAIAVKGDVTVESDVINLVQSAI
KEFGKLDVMINNAGLANPVSSHEMSLSDWNKVIDTNLTGA
FLGSREAIKYFVENDIKGTVINMSSVHEKIPWPLFVHYAA
SKGGMKLMTETLALEYAPKGIRVNNIGPGAINTPINAEKF
ADPEQRADVESMIPMGYIGEPEEIAAVAAWLASSEASYVT
GITLFADGGMTQYPSFQAGRG
B:  MYKDLEGKVVVITGSSTGLGKSMAIRFATEKAKVVVNYRS
KEDEANSVLEEIKKVGGEAIAVKGDVTVESDVINLVQSAI
KEFGKLDVMINNAGLANPVSSHEMSLSDWNKVIDTNLTGA
FLGSREAIKYFVENDIKGTVINMSSVHEKIPWPLFVHYAA
SKGGMKLMTETLALEYAPKGIRVNNIGPGAINTPINAEKF
ADPEQRADVESMIPMGYIGEPEEIAAVAAWLASSEASYVT
GITLFADGGMTQYPSFQAGRG
Description (1)  GLUCOSE 1-DEHYDROGENASE(E.C.1.1.1.47)


Functional site

1) chain A
residue 14
type
ligand
sequence G
description BINDING SITE FOR RESIDUE NAD A 1262
source : AC1

2) chain A
residue 17
type
ligand
sequence T
description BINDING SITE FOR RESIDUE NAD A 1262
source : AC1

3) chain A
residue 18
type
ligand
sequence G
description BINDING SITE FOR RESIDUE NAD A 1262
source : AC1

4) chain A
residue 19
type
ligand
sequence L
description BINDING SITE FOR RESIDUE NAD A 1262
source : AC1

5) chain A
residue 39
type
ligand
sequence R
description BINDING SITE FOR RESIDUE NAD A 1262
source : AC1

6) chain A
residue 64
type
ligand
sequence G
description BINDING SITE FOR RESIDUE NAD A 1262
source : AC1

7) chain A
residue 65
type
ligand
sequence D
description BINDING SITE FOR RESIDUE NAD A 1262
source : AC1

8) chain A
residue 66
type
ligand
sequence V
description BINDING SITE FOR RESIDUE NAD A 1262
source : AC1

9) chain A
residue 92
type
ligand
sequence N
description BINDING SITE FOR RESIDUE NAD A 1262
source : AC1

10) chain A
residue 93
type
ligand
sequence A
description BINDING SITE FOR RESIDUE NAD A 1262
source : AC1

11) chain A
residue 94
type
ligand
sequence G
description BINDING SITE FOR RESIDUE NAD A 1262
source : AC1

12) chain A
residue 115
type
ligand
sequence T
description BINDING SITE FOR RESIDUE NAD A 1262
source : AC1

13) chain A
residue 143
type
ligand
sequence M
description BINDING SITE FOR RESIDUE NAD A 1262
source : AC1

14) chain A
residue 144
type
ligand
sequence S
description BINDING SITE FOR RESIDUE NAD A 1262
source : AC1

15) chain A
residue 145
type
ligand
sequence S
description BINDING SITE FOR RESIDUE NAD A 1262
source : AC1

16) chain A
residue 158
type
ligand
sequence Y
description BINDING SITE FOR RESIDUE NAD A 1262
source : AC1

17) chain A
residue 162
type
ligand
sequence K
description BINDING SITE FOR RESIDUE NAD A 1262
source : AC1

18) chain A
residue 188
type
ligand
sequence P
description BINDING SITE FOR RESIDUE NAD A 1262
source : AC1

19) chain A
residue 189
type
ligand
sequence G
description BINDING SITE FOR RESIDUE NAD A 1262
source : AC1

20) chain A
residue 191
type
ligand
sequence I
description BINDING SITE FOR RESIDUE NAD A 1262
source : AC1

21) chain A
residue 193
type
ligand
sequence T
description BINDING SITE FOR RESIDUE NAD A 1262
source : AC1

22) chain A
residue 195
type
ligand
sequence I
description BINDING SITE FOR RESIDUE NAD A 1262
source : AC1

23) chain A
residue 196
type
ligand
sequence N
description BINDING SITE FOR RESIDUE NAD A 1262
source : AC1

24) chain B
residue 14
type
ligand
sequence G
description BINDING SITE FOR RESIDUE NAD B 2262
source : AC2

25) chain B
residue 17
type
ligand
sequence T
description BINDING SITE FOR RESIDUE NAD B 2262
source : AC2

26) chain B
residue 18
type
ligand
sequence G
description BINDING SITE FOR RESIDUE NAD B 2262
source : AC2

27) chain B
residue 19
type
ligand
sequence L
description BINDING SITE FOR RESIDUE NAD B 2262
source : AC2

28) chain B
residue 64
type
ligand
sequence G
description BINDING SITE FOR RESIDUE NAD B 2262
source : AC2

29) chain B
residue 65
type
ligand
sequence D
description BINDING SITE FOR RESIDUE NAD B 2262
source : AC2

30) chain B
residue 66
type
ligand
sequence V
description BINDING SITE FOR RESIDUE NAD B 2262
source : AC2

31) chain B
residue 92
type
ligand
sequence N
description BINDING SITE FOR RESIDUE NAD B 2262
source : AC2

32) chain B
residue 93
type
ligand
sequence A
description BINDING SITE FOR RESIDUE NAD B 2262
source : AC2

33) chain B
residue 94
type
ligand
sequence G
description BINDING SITE FOR RESIDUE NAD B 2262
source : AC2

34) chain B
residue 115
type
ligand
sequence T
description BINDING SITE FOR RESIDUE NAD B 2262
source : AC2

35) chain B
residue 143
type
ligand
sequence M
description BINDING SITE FOR RESIDUE NAD B 2262
source : AC2

36) chain B
residue 144
type
ligand
sequence S
description BINDING SITE FOR RESIDUE NAD B 2262
source : AC2

37) chain B
residue 145
type
ligand
sequence S
description BINDING SITE FOR RESIDUE NAD B 2262
source : AC2

38) chain B
residue 158
type
ligand
sequence Y
description BINDING SITE FOR RESIDUE NAD B 2262
source : AC2

39) chain B
residue 162
type
ligand
sequence K
description BINDING SITE FOR RESIDUE NAD B 2262
source : AC2

40) chain B
residue 188
type
ligand
sequence P
description BINDING SITE FOR RESIDUE NAD B 2262
source : AC2

41) chain B
residue 189
type
ligand
sequence G
description BINDING SITE FOR RESIDUE NAD B 2262
source : AC2

42) chain B
residue 191
type
ligand
sequence I
description BINDING SITE FOR RESIDUE NAD B 2262
source : AC2

43) chain B
residue 193
type
ligand
sequence T
description BINDING SITE FOR RESIDUE NAD B 2262
source : AC2

44) chain B
residue 195
type
ligand
sequence I
description BINDING SITE FOR RESIDUE NAD B 2262
source : AC2

45) chain B
residue 196
type
ligand
sequence N
description BINDING SITE FOR RESIDUE NAD B 2262
source : AC2

46) chain A
residue 158
type ACT_SITE
ligand
sequence Y
description Proton acceptor.
source Swiss-Prot : SWS_FT_FI1

47) chain A
residue 145
type BINDING
ligand
sequence S
description Substrate (By similarity).
source Swiss-Prot : SWS_FT_FI2

48) chain A
residue 11-35
type NP_BIND
ligand
sequence VITGSSTGLGKSMAIRFATEKAKVV
description NADP.
source Swiss-Prot : SWS_FT_FI3

49) chain B
residue 158
type ACT_SITE
ligand
sequence Y
description Proton acceptor.
source Swiss-Prot : SWS_FT_FI4

50) chain B
residue 145
type BINDING
ligand
sequence S
description Substrate (By similarity).
source Swiss-Prot : SWS_FT_FI5

51) chain B
residue 11-35
type NP_BIND
ligand
sequence VITGSSTGLGKSMAIRFATEKAKVV
description NADP.
source Swiss-Prot : SWS_FT_FI6

52) chain A
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 B
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 A
residue 14
type binding
ligand NAD: NICOTINAMIDE-ADENINE-DINUCLEOTIDE
sequence G
description NICOTINAMIDE-ADENINE-DINUCLEOTIDE binding site
source pdb_hetatom : NAD_1g6k_A_1262

55) chain A
residue 16-20
type binding
ligand NAD: NICOTINAMIDE-ADENINE-DINUCLEOTIDE
sequence STGLG
description NICOTINAMIDE-ADENINE-DINUCLEOTIDE binding site
source pdb_hetatom : NAD_1g6k_A_1262

56) chain A
residue 37
type binding
ligand NAD: NICOTINAMIDE-ADENINE-DINUCLEOTIDE
sequence N
description NICOTINAMIDE-ADENINE-DINUCLEOTIDE binding site
source pdb_hetatom : NAD_1g6k_A_1262

57) chain A
residue 39
type binding
ligand NAD: NICOTINAMIDE-ADENINE-DINUCLEOTIDE
sequence R
description NICOTINAMIDE-ADENINE-DINUCLEOTIDE binding site
source pdb_hetatom : NAD_1g6k_A_1262

58) chain A
residue 64-67
type binding
ligand NAD: NICOTINAMIDE-ADENINE-DINUCLEOTIDE
sequence GDVT
description NICOTINAMIDE-ADENINE-DINUCLEOTIDE binding site
source pdb_hetatom : NAD_1g6k_A_1262

59) chain A
residue 92-95
type binding
ligand NAD: NICOTINAMIDE-ADENINE-DINUCLEOTIDE
sequence NAGL
description NICOTINAMIDE-ADENINE-DINUCLEOTIDE binding site
source pdb_hetatom : NAD_1g6k_A_1262

60) chain A
residue 115
type binding
ligand NAD: NICOTINAMIDE-ADENINE-DINUCLEOTIDE
sequence T
description NICOTINAMIDE-ADENINE-DINUCLEOTIDE binding site
source pdb_hetatom : NAD_1g6k_A_1262

61) chain A
residue 143-146
type binding
ligand NAD: NICOTINAMIDE-ADENINE-DINUCLEOTIDE
sequence MSSV
description NICOTINAMIDE-ADENINE-DINUCLEOTIDE binding site
source pdb_hetatom : NAD_1g6k_A_1262

62) chain A
residue 158
type binding
ligand NAD: NICOTINAMIDE-ADENINE-DINUCLEOTIDE
sequence Y
description NICOTINAMIDE-ADENINE-DINUCLEOTIDE binding site
source pdb_hetatom : NAD_1g6k_A_1262

63) chain A
residue 162
type binding
ligand NAD: NICOTINAMIDE-ADENINE-DINUCLEOTIDE
sequence K
description NICOTINAMIDE-ADENINE-DINUCLEOTIDE binding site
source pdb_hetatom : NAD_1g6k_A_1262

64) chain A
residue 188-191
type binding
ligand NAD: NICOTINAMIDE-ADENINE-DINUCLEOTIDE
sequence PGAI
description NICOTINAMIDE-ADENINE-DINUCLEOTIDE binding site
source pdb_hetatom : NAD_1g6k_A_1262

65) chain A
residue 193-196
type binding
ligand NAD: NICOTINAMIDE-ADENINE-DINUCLEOTIDE
sequence TPIN
description NICOTINAMIDE-ADENINE-DINUCLEOTIDE binding site
source pdb_hetatom : NAD_1g6k_A_1262

66) chain B
residue 14
type binding
ligand NAD: NICOTINAMIDE-ADENINE-DINUCLEOTIDE
sequence G
description NICOTINAMIDE-ADENINE-DINUCLEOTIDE binding site
source pdb_hetatom : NAD_1g6k_B_2262

67) chain B
residue 16-20
type binding
ligand NAD: NICOTINAMIDE-ADENINE-DINUCLEOTIDE
sequence STGLG
description NICOTINAMIDE-ADENINE-DINUCLEOTIDE binding site
source pdb_hetatom : NAD_1g6k_B_2262

68) chain B
residue 37
type binding
ligand NAD: NICOTINAMIDE-ADENINE-DINUCLEOTIDE
sequence N
description NICOTINAMIDE-ADENINE-DINUCLEOTIDE binding site
source pdb_hetatom : NAD_1g6k_B_2262

69) chain B
residue 39
type binding
ligand NAD: NICOTINAMIDE-ADENINE-DINUCLEOTIDE
sequence R
description NICOTINAMIDE-ADENINE-DINUCLEOTIDE binding site
source pdb_hetatom : NAD_1g6k_B_2262

70) chain B
residue 64-67
type binding
ligand NAD: NICOTINAMIDE-ADENINE-DINUCLEOTIDE
sequence GDVT
description NICOTINAMIDE-ADENINE-DINUCLEOTIDE binding site
source pdb_hetatom : NAD_1g6k_B_2262

71) chain B
residue 92-95
type binding
ligand NAD: NICOTINAMIDE-ADENINE-DINUCLEOTIDE
sequence NAGL
description NICOTINAMIDE-ADENINE-DINUCLEOTIDE binding site
source pdb_hetatom : NAD_1g6k_B_2262

72) chain B
residue 115
type binding
ligand NAD: NICOTINAMIDE-ADENINE-DINUCLEOTIDE
sequence T
description NICOTINAMIDE-ADENINE-DINUCLEOTIDE binding site
source pdb_hetatom : NAD_1g6k_B_2262

73) chain B
residue 143-146
type binding
ligand NAD: NICOTINAMIDE-ADENINE-DINUCLEOTIDE
sequence MSSV
description NICOTINAMIDE-ADENINE-DINUCLEOTIDE binding site
source pdb_hetatom : NAD_1g6k_B_2262

74) chain B
residue 158
type binding
ligand NAD: NICOTINAMIDE-ADENINE-DINUCLEOTIDE
sequence Y
description NICOTINAMIDE-ADENINE-DINUCLEOTIDE binding site
source pdb_hetatom : NAD_1g6k_B_2262

75) chain B
residue 162
type binding
ligand NAD: NICOTINAMIDE-ADENINE-DINUCLEOTIDE
sequence K
description NICOTINAMIDE-ADENINE-DINUCLEOTIDE binding site
source pdb_hetatom : NAD_1g6k_B_2262

76) chain B
residue 188-191
type binding
ligand NAD: NICOTINAMIDE-ADENINE-DINUCLEOTIDE
sequence PGAI
description NICOTINAMIDE-ADENINE-DINUCLEOTIDE binding site
source pdb_hetatom : NAD_1g6k_B_2262

77) chain B
residue 193-196
type binding
ligand NAD: NICOTINAMIDE-ADENINE-DINUCLEOTIDE
sequence TPIN
description NICOTINAMIDE-ADENINE-DINUCLEOTIDE binding site
source pdb_hetatom : NAD_1g6k_B_2262

78) chain A
residue 145
type catalytic
ligand
sequence S
description Annotated By Reference To The Literature 1eq2
source CSA : CSA1

79) chain A
residue 158
type catalytic
ligand
sequence Y
description Annotated By Reference To The Literature 1eq2
source CSA : CSA1

80) chain A
residue 162
type catalytic
ligand
sequence K
description Annotated By Reference To The Literature 1eq2
source CSA : CSA1

81) chain B
residue 145
type catalytic
ligand
sequence S
description Annotated By Reference To The Literature 1eq2
source CSA : CSA2

82) chain B
residue 158
type catalytic
ligand
sequence Y
description Annotated By Reference To The Literature 1eq2
source CSA : CSA2

83) chain B
residue 162
type catalytic
ligand
sequence K
description Annotated By Reference To The Literature 1eq2
source CSA : CSA2

84) chain A
residue 145
type catalytic
ligand
sequence S
description Annotated By Reference To The Literature 1eq2
source CSA : CSA5

85) chain A
residue 158
type catalytic
ligand
sequence Y
description Annotated By Reference To The Literature 1eq2
source CSA : CSA5

86) chain A
residue 116
type catalytic
ligand
sequence N
description Annotated By Reference To The Literature 1eq2
source CSA : CSA5

87) chain A
residue 162
type catalytic
ligand
sequence K
description Annotated By Reference To The Literature 1eq2
source CSA : CSA5

88) chain B
residue 145
type catalytic
ligand
sequence S
description Annotated By Reference To The Literature 1eq2
source CSA : CSA6

89) chain B
residue 158
type catalytic
ligand
sequence Y
description Annotated By Reference To The Literature 1eq2
source CSA : CSA6

90) chain B
residue 116
type catalytic
ligand
sequence N
description Annotated By Reference To The Literature 1eq2
source CSA : CSA6

91) chain B
residue 162
type catalytic
ligand
sequence K
description Annotated By Reference To The Literature 1eq2
source CSA : CSA6

92) chain A
residue 155
type catalytic
ligand
sequence F
description Annotated By Reference To The Literature 1eq2
source CSA : CSA9

93) chain A
residue 162
type catalytic
ligand
sequence K
description Annotated By Reference To The Literature 1eq2
source CSA : CSA9

94) chain B
residue 155
type catalytic
ligand
sequence F
description Annotated By Reference To The Literature 1eq2
source CSA : CSA10

95) chain B
residue 162
type catalytic
ligand
sequence K
description Annotated By Reference To The Literature 1eq2
source CSA : CSA10

96) chain A
residue 158
type catalytic
ligand
sequence Y
description Annotated By Reference To The Literature 1eq2
source CSA : CSA13

97) chain A
residue 162
type catalytic
ligand
sequence K
description Annotated By Reference To The Literature 1eq2
source CSA : CSA13

98) chain B
residue 158
type catalytic
ligand
sequence Y
description Annotated By Reference To The Literature 1eq2
source CSA : CSA14

99) chain B
residue 162
type catalytic
ligand
sequence K
description Annotated By Reference To The Literature 1eq2
source CSA : CSA14


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