eF-site ID 4nea-A
PDB Code 4nea
Chain A

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Title 1.90 Angstrom resolution crystal structure of betaine aldehyde dehydrogenase (betB) from Staphylococcus aureus in complex with NAD+ and BME-free Cys289
Classification OXIDOREDUCTASE
Compound Betaine aldehyde dehydrogenase
Source (Q5HCU0_STAAC)
Sequence A:  MHHHHHHSAMELLKHLSQRQYIDGEWVESANKNTRDIINP
YNQEVIFTVSEGTKEDAERAILAARRAFESGEWSQETAET
RGKKVRAIADKIKEHREALARLETLDTGKTLEESYADMDD
IHNVFMYFAGLADKDGGEMIDSPIPDTESKIVKEPVGVVT
QITPWNYPLLQASWKIAPALATGCSLVMKPSEITPLTTIR
VFELMEEVGFPKGTINLILGAGSEVGDVMSGHKEVDLVSF
TGGIETGKHIMKNAANNVTNIALELGGKNPNIIFDDADFE
LAVDQALNGGYFHAGQVCSAGSRILVQNSIKDKFEQALID
RVKKIKLGNGFDADTEMGPVISTEHRNKIESYMDVAKAEG
ATIAVGGKRPDRDDLKDGLFFEPTVITNCDTSMRIVQEEV
FGPVVTVEGFETEQEAIQLANDSIYGLAGAVFSKDIGKAQ
RVANKLKLGTVWINDFHPYFAQAPWGGYKQSGIGRELGKE
GLEEYLVSKHILTNTNPQLVNWFSK
Description


Functional site

1) chain A
residue 153
type
sequence I
description BINDING SITE FOR RESIDUE NAD A 501
source : AC1

2) chain A
residue 154
type
sequence T
description BINDING SITE FOR RESIDUE NAD A 501
source : AC1

3) chain A
residue 155
type
sequence P
description BINDING SITE FOR RESIDUE NAD A 501
source : AC1

4) chain A
residue 156
type
sequence W
description BINDING SITE FOR RESIDUE NAD A 501
source : AC1

5) chain A
residue 157
type
sequence N
description BINDING SITE FOR RESIDUE NAD A 501
source : AC1

6) chain A
residue 180
type
sequence K
description BINDING SITE FOR RESIDUE NAD A 501
source : AC1

7) chain A
residue 182
type
sequence S
description BINDING SITE FOR RESIDUE NAD A 501
source : AC1

8) chain A
residue 183
type
sequence E
description BINDING SITE FOR RESIDUE NAD A 501
source : AC1

9) chain A
residue 212
type
sequence A
description BINDING SITE FOR RESIDUE NAD A 501
source : AC1

10) chain A
residue 213
type
sequence G
description BINDING SITE FOR RESIDUE NAD A 501
source : AC1

11) chain A
residue 217
type
sequence G
description BINDING SITE FOR RESIDUE NAD A 501
source : AC1

12) chain A
residue 218
type
sequence D
description BINDING SITE FOR RESIDUE NAD A 501
source : AC1

13) chain A
residue 231
type
sequence F
description BINDING SITE FOR RESIDUE NAD A 501
source : AC1

14) chain A
residue 232
type
sequence T
description BINDING SITE FOR RESIDUE NAD A 501
source : AC1

15) chain A
residue 233
type
sequence G
description BINDING SITE FOR RESIDUE NAD A 501
source : AC1

16) chain A
residue 234
type
sequence G
description BINDING SITE FOR RESIDUE NAD A 501
source : AC1

17) chain A
residue 237
type
sequence T
description BINDING SITE FOR RESIDUE NAD A 501
source : AC1

18) chain A
residue 240
type
sequence H
description BINDING SITE FOR RESIDUE NAD A 501
source : AC1

19) chain A
residue 241
type
sequence I
description BINDING SITE FOR RESIDUE NAD A 501
source : AC1

20) chain A
residue 255
type
sequence E
description BINDING SITE FOR RESIDUE NAD A 501
source : AC1

21) chain A
residue 257
type
sequence G
description BINDING SITE FOR RESIDUE NAD A 501
source : AC1

22) chain A
residue 289
type
sequence C
description BINDING SITE FOR RESIDUE NAD A 501
source : AC1

23) chain A
residue 336
type
sequence H
description BINDING SITE FOR RESIDUE NAD A 501
source : AC1

24) chain A
residue 390
type
sequence E
description BINDING SITE FOR RESIDUE NAD A 501
source : AC1

25) chain A
residue 392
type
sequence F
description BINDING SITE FOR RESIDUE NAD A 501
source : AC1

26) chain A
residue 29
type
sequence I
description BINDING SITE FOR RESIDUE K A 502
source : AC2

27) chain A
residue 97
type
sequence D
description BINDING SITE FOR RESIDUE K A 502
source : AC2

28) chain A
residue 184
type
sequence I
description BINDING SITE FOR RESIDUE K A 502
source : AC2

29) chain A
residue 460
type
sequence K
description BINDING SITE FOR RESIDUE K A 503
source : AC3

30) chain A
residue 463
type
sequence G
description BINDING SITE FOR RESIDUE K A 503
source : AC3

31) chain A
residue 249
type
sequence V
description BINDING SITE FOR RESIDUE K A 504
source : AC4

32) chain A
residue 251
type
sequence N
description BINDING SITE FOR RESIDUE K A 504
source : AC4

33) chain A
residue 474
type
sequence E
description BINDING SITE FOR RESIDUE K A 505
source : AC5

34) chain A
residue 477
type
sequence L
description BINDING SITE FOR RESIDUE K A 505
source : AC5

35) chain A
residue 224
type
sequence K
description BINDING SITE FOR RESIDUE K A 506
source : AC6

36) chain A
residue 226
type
sequence V
description BINDING SITE FOR RESIDUE K A 506
source : AC6

37) chain A
residue 248
type
sequence N
description BINDING SITE FOR RESIDUE K A 506
source : AC6

38) chain A
residue 250
type
sequence T
description BINDING SITE FOR RESIDUE K A 506
source : AC6

39) chain A
residue 282-293
type prosite
sequence YFHAGQVCSAGS
description ALDEHYDE_DEHYDR_CYS Aldehyde dehydrogenases cysteine active site. YfHAGQVCSAGS
source prosite : PS00070

40) chain A
residue 254-261
type prosite
sequence LELGGKNP
description ALDEHYDE_DEHYDR_GLU Aldehyde dehydrogenases glutamic acid active site. LELGGKNP
source prosite : PS00687


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