eF-site ID 1g6k-F
PDB Code 1g6k
Chain 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 F:  MYKDLEGKVVVITGSSTGLGKSMAIRFATEKAKVVVNYRS
KEDEANSVLEEIKKVGGEAIAVKGDVTVESDVINLVQSAI
KEFGKLDVMINNAGLANPVSSHEMSLSDWNKVIDTNLTGA
FLGSREAIKYFVENDIKGTVINMSSVHEKIPWPLFVHYAA
SKGGMKLMTETLALEYAPKGIRVNNIGPGAINTPINAEKF
ADPEQRADVESMIPMGYIGEPEEIAAVAAWLASSEASYVT
GITLFADGGMTQYPSFQAGRG
Description (1)  GLUCOSE 1-DEHYDROGENASE(E.C.1.1.1.47)


Functional site

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

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

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

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

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

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

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

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

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

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

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

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

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

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

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

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

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

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

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

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

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

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

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

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

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

26) 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

27) 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

28) 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

29) 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

30) 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

31) 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

32) 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

33) 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

34) 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

35) 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

36) 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

37) 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

38) 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

39) 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

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

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

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

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

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

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

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

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

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

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

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


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