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


Functional site

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

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

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

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

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

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

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

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

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

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

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

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

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

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

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

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

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

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

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

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

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

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

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

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

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

26) 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

27) 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

28) 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

29) 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

30) 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

31) 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

32) 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

33) 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

34) 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

35) 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

36) 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

37) 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

38) 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

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

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

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

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

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

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

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

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

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

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

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


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