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

click to enlarge
Title Horse liver F93W alcohol dehydrogenase complexed with NAD and pentafluorobenzyl alcohol
Classification OXIDOREDUCTASE
Compound Alcohol dehydrogenase E chain
Source (ADH1E_HORSE)
Sequence B:  STAGKVIKCKAAVLWEEKKPFSIEEVEVAPPKAHEVRIKM
VATGICRSDDHVVSGTLVTPLPVIAGHEAAGIVESIGEGV
TTVRPGDKVIPLWTPQCGKCRVCKHPEGNFCLKNDLSMPR
GTMQDGTSRFTCRGKPIHHFLGTSTFSQYTVVDEISVAKI
DAASPLEKVCLIGCGFSTGYGSAVKVAKVTQGSTCAVFGL
GGVGLSVIMGCKAAGAARIIGVDINKDKFAKAKEVGATEC
VNPQDYKKPIQEVLTEMSNGGVDFSFEVIGRLDTMVTALS
CCQEAYGVSVIVGVPPDSQNLSMNPMLLLSGRTWKGAIFG
GFKSKDSVPKLVADFMAKKFALDPLITHVLPFEKINEGFD
LLRSGESIRTILTF
Description (1)  Alcohol dehydrogenase E chain (E.C.1.1.1.1)


Functional site

1) chain B
residue 309
type
ligand
sequence L
description binding site for residue PFB A 404
source : AC4

2) chain B
residue 238
type
ligand
sequence T
description binding site for residue MRD A 406
source : AC6

3) chain B
residue 239
type
ligand
sequence E
description binding site for residue MRD A 406
source : AC6

4) chain B
residue 46
type
ligand
sequence C
description binding site for residue ZN B 401
source : AC7

5) chain B
residue 67
type
ligand
sequence H
description binding site for residue ZN B 401
source : AC7

6) chain B
residue 174
type
ligand
sequence C
description binding site for residue ZN B 401
source : AC7

7) chain B
residue 97
type
ligand
sequence C
description binding site for residue ZN B 402
source : AC8

8) chain B
residue 100
type
ligand
sequence C
description binding site for residue ZN B 402
source : AC8

9) chain B
residue 103
type
ligand
sequence C
description binding site for residue ZN B 402
source : AC8

10) chain B
residue 111
type
ligand
sequence C
description binding site for residue ZN B 402
source : AC8

11) chain B
residue 47
type
ligand
sequence R
description binding site for residue NAJ B 403
source : AC9

12) chain B
residue 48
type
ligand
sequence S
description binding site for residue NAJ B 403
source : AC9

13) chain B
residue 51
type
ligand
sequence H
description binding site for residue NAJ B 403
source : AC9

14) chain B
residue 93
type
ligand
sequence W
description binding site for residue NAJ B 403
source : AC9

15) chain B
residue 174
type
ligand
sequence C
description binding site for residue NAJ B 403
source : AC9

16) chain B
residue 178
type
ligand
sequence T
description binding site for residue NAJ B 403
source : AC9

17) chain B
residue 199
type
ligand
sequence G
description binding site for residue NAJ B 403
source : AC9

18) chain B
residue 201
type
ligand
sequence G
description binding site for residue NAJ B 403
source : AC9

19) chain B
residue 202
type
ligand
sequence G
description binding site for residue NAJ B 403
source : AC9

20) chain B
residue 203
type
ligand
sequence V
description binding site for residue NAJ B 403
source : AC9

21) chain B
residue 223
type
ligand
sequence D
description binding site for residue NAJ B 403
source : AC9

22) chain B
residue 224
type
ligand
sequence I
description binding site for residue NAJ B 403
source : AC9

23) chain B
residue 228
type
ligand
sequence K
description binding site for residue NAJ B 403
source : AC9

24) chain B
residue 268
type
ligand
sequence V
description binding site for residue NAJ B 403
source : AC9

25) chain B
residue 269
type
ligand
sequence I
description binding site for residue NAJ B 403
source : AC9

26) chain B
residue 292
type
ligand
sequence V
description binding site for residue NAJ B 403
source : AC9

27) chain B
residue 293
type
ligand
sequence G
description binding site for residue NAJ B 403
source : AC9

28) chain B
residue 294
type
ligand
sequence V
description binding site for residue NAJ B 403
source : AC9

29) chain B
residue 317
type
ligand
sequence A
description binding site for residue NAJ B 403
source : AC9

30) chain B
residue 318
type
ligand
sequence I
description binding site for residue NAJ B 403
source : AC9

31) chain B
residue 319
type
ligand
sequence F
description binding site for residue NAJ B 403
source : AC9

32) chain B
residue 369
type
ligand
sequence R
description binding site for residue NAJ B 403
source : AC9

33) chain B
residue 46
type
ligand
sequence C
description binding site for residue PFB B 404
source : AD1

34) chain B
residue 48
type
ligand
sequence S
description binding site for residue PFB B 404
source : AD1

35) chain B
residue 57
type
ligand
sequence L
description binding site for residue PFB B 404
source : AD1

36) chain B
residue 67
type
ligand
sequence H
description binding site for residue PFB B 404
source : AD1

37) chain B
residue 93
type
ligand
sequence W
description binding site for residue PFB B 404
source : AD1

38) chain B
residue 116
type
ligand
sequence L
description binding site for residue PFB B 404
source : AD1

39) chain B
residue 140
type
ligand
sequence F
description binding site for residue PFB B 404
source : AD1

40) chain B
residue 141
type
ligand
sequence L
description binding site for residue PFB B 404
source : AD1

41) chain B
residue 174
type
ligand
sequence C
description binding site for residue PFB B 404
source : AD1

42) chain B
residue 294
type
ligand
sequence V
description binding site for residue PFB B 404
source : AD1

43) chain B
residue 318
type
ligand
sequence I
description binding site for residue PFB B 404
source : AD1

44) chain B
residue 338
type
ligand
sequence K
description binding site for residue MRD B 405
source : AD2

45) chain B
residue 309
type binding
ligand NAJ: NICOTINAMIDE-ADENINE-DINUCLEOTIDE (ACIDIC FORM)
sequence L
description NICOTINAMIDE-ADENINE-DINUCLEOTIDE (ACIDIC FORM) binding site
source pdb_hetatom : NAJ_6owm_A_403

46) chain B
residue 306
type binding
ligand PFB: 2,3,4,5,6-PENTAFLUOROBENZYL ALCOHOL
sequence M
description 2,3,4,5,6-PENTAFLUOROBENZYL ALCOHOL binding site
source pdb_hetatom : PFB_6owm_A_404

47) chain B
residue 309
type binding
ligand PFB: 2,3,4,5,6-PENTAFLUOROBENZYL ALCOHOL
sequence L
description 2,3,4,5,6-PENTAFLUOROBENZYL ALCOHOL binding site
source pdb_hetatom : PFB_6owm_A_404

48) chain B
residue 46-48
type binding
ligand NAJ: NICOTINAMIDE-ADENINE-DINUCLEOTIDE (ACIDIC FORM)
sequence CRS
description NICOTINAMIDE-ADENINE-DINUCLEOTIDE (ACIDIC FORM) binding site
source pdb_hetatom : NAJ_6owm_B_403

49) chain B
residue 51
type binding
ligand NAJ: NICOTINAMIDE-ADENINE-DINUCLEOTIDE (ACIDIC FORM)
sequence H
description NICOTINAMIDE-ADENINE-DINUCLEOTIDE (ACIDIC FORM) binding site
source pdb_hetatom : NAJ_6owm_B_403

50) chain B
residue 93
type binding
ligand NAJ: NICOTINAMIDE-ADENINE-DINUCLEOTIDE (ACIDIC FORM)
sequence W
description NICOTINAMIDE-ADENINE-DINUCLEOTIDE (ACIDIC FORM) binding site
source pdb_hetatom : NAJ_6owm_B_403

51) chain B
residue 174
type binding
ligand NAJ: NICOTINAMIDE-ADENINE-DINUCLEOTIDE (ACIDIC FORM)
sequence C
description NICOTINAMIDE-ADENINE-DINUCLEOTIDE (ACIDIC FORM) binding site
source pdb_hetatom : NAJ_6owm_B_403

52) chain B
residue 178
type binding
ligand NAJ: NICOTINAMIDE-ADENINE-DINUCLEOTIDE (ACIDIC FORM)
sequence T
description NICOTINAMIDE-ADENINE-DINUCLEOTIDE (ACIDIC FORM) binding site
source pdb_hetatom : NAJ_6owm_B_403

53) chain B
residue 199-204
type binding
ligand NAJ: NICOTINAMIDE-ADENINE-DINUCLEOTIDE (ACIDIC FORM)
sequence GLGGVG
description NICOTINAMIDE-ADENINE-DINUCLEOTIDE (ACIDIC FORM) binding site
source pdb_hetatom : NAJ_6owm_B_403

54) chain B
residue 222-225
type binding
ligand NAJ: NICOTINAMIDE-ADENINE-DINUCLEOTIDE (ACIDIC FORM)
sequence VDIN
description NICOTINAMIDE-ADENINE-DINUCLEOTIDE (ACIDIC FORM) binding site
source pdb_hetatom : NAJ_6owm_B_403

55) chain B
residue 228
type binding
ligand NAJ: NICOTINAMIDE-ADENINE-DINUCLEOTIDE (ACIDIC FORM)
sequence K
description NICOTINAMIDE-ADENINE-DINUCLEOTIDE (ACIDIC FORM) binding site
source pdb_hetatom : NAJ_6owm_B_403

56) chain B
residue 243
type binding
ligand NAJ: NICOTINAMIDE-ADENINE-DINUCLEOTIDE (ACIDIC FORM)
sequence P
description NICOTINAMIDE-ADENINE-DINUCLEOTIDE (ACIDIC FORM) binding site
source pdb_hetatom : NAJ_6owm_B_403

57) chain B
residue 268-271
type binding
ligand NAJ: NICOTINAMIDE-ADENINE-DINUCLEOTIDE (ACIDIC FORM)
sequence VIGR
description NICOTINAMIDE-ADENINE-DINUCLEOTIDE (ACIDIC FORM) binding site
source pdb_hetatom : NAJ_6owm_B_403

58) chain B
residue 273-274
type binding
ligand NAJ: NICOTINAMIDE-ADENINE-DINUCLEOTIDE (ACIDIC FORM)
sequence DT
description NICOTINAMIDE-ADENINE-DINUCLEOTIDE (ACIDIC FORM) binding site
source pdb_hetatom : NAJ_6owm_B_403

59) chain B
residue 292-294
type binding
ligand NAJ: NICOTINAMIDE-ADENINE-DINUCLEOTIDE (ACIDIC FORM)
sequence VGV
description NICOTINAMIDE-ADENINE-DINUCLEOTIDE (ACIDIC FORM) binding site
source pdb_hetatom : NAJ_6owm_B_403

60) chain B
residue 317-320
type binding
ligand NAJ: NICOTINAMIDE-ADENINE-DINUCLEOTIDE (ACIDIC FORM)
sequence AIFG
description NICOTINAMIDE-ADENINE-DINUCLEOTIDE (ACIDIC FORM) binding site
source pdb_hetatom : NAJ_6owm_B_403

61) chain B
residue 362
type binding
ligand NAJ: NICOTINAMIDE-ADENINE-DINUCLEOTIDE (ACIDIC FORM)
sequence L
description NICOTINAMIDE-ADENINE-DINUCLEOTIDE (ACIDIC FORM) binding site
source pdb_hetatom : NAJ_6owm_B_403

62) chain B
residue 368-369
type binding
ligand NAJ: NICOTINAMIDE-ADENINE-DINUCLEOTIDE (ACIDIC FORM)
sequence IR
description NICOTINAMIDE-ADENINE-DINUCLEOTIDE (ACIDIC FORM) binding site
source pdb_hetatom : NAJ_6owm_B_403

63) chain B
residue 46
type binding
ligand PFB: 2,3,4,5,6-PENTAFLUOROBENZYL ALCOHOL
sequence C
description 2,3,4,5,6-PENTAFLUOROBENZYL ALCOHOL binding site
source pdb_hetatom : PFB_6owm_B_404

64) chain B
residue 48
type binding
ligand PFB: 2,3,4,5,6-PENTAFLUOROBENZYL ALCOHOL
sequence S
description 2,3,4,5,6-PENTAFLUOROBENZYL ALCOHOL binding site
source pdb_hetatom : PFB_6owm_B_404

65) chain B
residue 57
type binding
ligand PFB: 2,3,4,5,6-PENTAFLUOROBENZYL ALCOHOL
sequence L
description 2,3,4,5,6-PENTAFLUOROBENZYL ALCOHOL binding site
source pdb_hetatom : PFB_6owm_B_404

66) chain B
residue 67
type binding
ligand PFB: 2,3,4,5,6-PENTAFLUOROBENZYL ALCOHOL
sequence H
description 2,3,4,5,6-PENTAFLUOROBENZYL ALCOHOL binding site
source pdb_hetatom : PFB_6owm_B_404

67) chain B
residue 93
type binding
ligand PFB: 2,3,4,5,6-PENTAFLUOROBENZYL ALCOHOL
sequence W
description 2,3,4,5,6-PENTAFLUOROBENZYL ALCOHOL binding site
source pdb_hetatom : PFB_6owm_B_404

68) chain B
residue 116
type binding
ligand PFB: 2,3,4,5,6-PENTAFLUOROBENZYL ALCOHOL
sequence L
description 2,3,4,5,6-PENTAFLUOROBENZYL ALCOHOL binding site
source pdb_hetatom : PFB_6owm_B_404

69) chain B
residue 140-141
type binding
ligand PFB: 2,3,4,5,6-PENTAFLUOROBENZYL ALCOHOL
sequence FL
description 2,3,4,5,6-PENTAFLUOROBENZYL ALCOHOL binding site
source pdb_hetatom : PFB_6owm_B_404

70) chain B
residue 174
type binding
ligand PFB: 2,3,4,5,6-PENTAFLUOROBENZYL ALCOHOL
sequence C
description 2,3,4,5,6-PENTAFLUOROBENZYL ALCOHOL binding site
source pdb_hetatom : PFB_6owm_B_404

71) chain B
residue 294
type binding
ligand PFB: 2,3,4,5,6-PENTAFLUOROBENZYL ALCOHOL
sequence V
description 2,3,4,5,6-PENTAFLUOROBENZYL ALCOHOL binding site
source pdb_hetatom : PFB_6owm_B_404

72) chain B
residue 318
type binding
ligand PFB: 2,3,4,5,6-PENTAFLUOROBENZYL ALCOHOL
sequence I
description 2,3,4,5,6-PENTAFLUOROBENZYL ALCOHOL binding site
source pdb_hetatom : PFB_6owm_B_404

73) chain B
residue 338-341
type binding
ligand MRD: (4R)-2-METHYLPENTANE-2,4-DIOL
sequence KKFA
description (4R)-2-METHYLPENTANE-2,4-DIOL binding site
source pdb_hetatom : MRD_6owm_B_405


Display surface

Download
Links