eF-site ID 6ojs-C
PDB Code 6ojs
Chain C

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Title Crystal structure of TS-DHFR from Cryptosporidium hominis in complex with NADPH, FdUMP, MTX and 2-amino-4-oxo-4,7-dihydro-pyrrolo[2,3-d]pyrimidine-methyl-phenyl-D-glutamic acid
Classification TRANSFERASE/TRANSFERASE INHIBITOR
Compound Bifunctional dihydrofolate reductase-thymidylate synthase
Source (A0A0S4TER9_CRYHO)
Sequence C:  EKNVSIVVAASVLSSGIGINGQLPWSISEDLKFFSKITNN
KCDSNKKNALIMGRKTWDSIGRRPLKNRIIVVISSSLPQD
EADPNVVVFRNLEDSIENLMNDDSIENIFVCGGESIYRDA
LKDNFVDRIYLTRVALEDIEFDTYFPEIPETFLPVYMSQT
FCTKNISYDFMIFEKQEKKLKSIDDTVDLLGEIFGIRKMG
NRHKFPKEEIYNTPSIRFGREHYEFQYLDLLSRVLENGAY
RENRTGISTYSIFGQMMRFDMRESFPLLTTKKVAIRSIFE
ELIWFIKGDTNGNHLIEKKVYIWSGNGSKEYLERIGLGHR
EENDLGPIYGFQWRHYNGEYKTMHDDYTGVGVDQLAKLIE
TLKNNPKDRRHILTAWNPSALSQMALPPCHVLSQYYVTND
NCLSCNLYQRSCDLGLGSPFNIASYAILTMMLAQVCGYEP
GELAIFIGDAHIYENHLTQLKEQLSRTPRPFPQLKFKRKV
ENIEDFKWEDIELIGYYPYPTIKMDMAV
Description


Functional site

1) chain C
residue 382
type
sequence R
description binding site for residue UFP A 602
source : AC2

2) chain C
residue 383
type
sequence R
description binding site for residue UFP A 602
source : AC2

3) chain C
residue 11
type
sequence A
description binding site for residue NDP C 601
source : AC9

4) chain C
residue 19
type
sequence I
description binding site for residue NDP C 601
source : AC9

5) chain C
residue 20
type
sequence G
description binding site for residue NDP C 601
source : AC9

6) chain C
residue 23
type
sequence G
description binding site for residue NDP C 601
source : AC9

7) chain C
residue 24
type
sequence Q
description binding site for residue NDP C 601
source : AC9

8) chain C
residue 25
type
sequence L
description binding site for residue NDP C 601
source : AC9

9) chain C
residue 55
type
sequence G
description binding site for residue NDP C 601
source : AC9

10) chain C
residue 56
type
sequence R
description binding site for residue NDP C 601
source : AC9

11) chain C
residue 57
type
sequence K
description binding site for residue NDP C 601
source : AC9

12) chain C
residue 58
type
sequence T
description binding site for residue NDP C 601
source : AC9

13) chain C
residue 75
type
sequence I
description binding site for residue NDP C 601
source : AC9

14) chain C
residue 76
type
sequence S
description binding site for residue NDP C 601
source : AC9

15) chain C
residue 77
type
sequence S
description binding site for residue NDP C 601
source : AC9

16) chain C
residue 78
type
sequence S
description binding site for residue NDP C 601
source : AC9

17) chain C
residue 92
type
sequence R
description binding site for residue NDP C 601
source : AC9

18) chain C
residue 113
type
sequence C
description binding site for residue NDP C 601
source : AC9

19) chain C
residue 114
type
sequence G
description binding site for residue NDP C 601
source : AC9

20) chain C
residue 115
type
sequence G
description binding site for residue NDP C 601
source : AC9

21) chain C
residue 116
type
sequence E
description binding site for residue NDP C 601
source : AC9

22) chain C
residue 117
type
sequence S
description binding site for residue NDP C 601
source : AC9

23) chain C
residue 121
type
sequence D
description binding site for residue NDP C 601
source : AC9

24) chain C
residue 145
type
sequence T
description binding site for residue NDP C 601
source : AC9

25) chain C
residue 257
type
sequence R
description binding site for residue UFP C 602
source : AD1

26) chain C
residue 316
type
sequence W
description binding site for residue UFP C 602
source : AD1

27) chain C
residue 399
type
sequence L
description binding site for residue UFP C 602
source : AD1

28) chain C
residue 402
type
sequence C
description binding site for residue UFP C 602
source : AD1

29) chain C
residue 403
type
sequence H
description binding site for residue UFP C 602
source : AD1

30) chain C
residue 422
type
sequence Q
description binding site for residue UFP C 602
source : AD1

31) chain C
residue 423
type
sequence R
description binding site for residue UFP C 602
source : AD1

32) chain C
residue 424
type
sequence S
description binding site for residue UFP C 602
source : AD1

33) chain C
residue 425
type
sequence C
description binding site for residue UFP C 602
source : AD1

34) chain C
residue 426
type
sequence D
description binding site for residue UFP C 602
source : AD1

35) chain C
residue 434
type
sequence N
description binding site for residue UFP C 602
source : AD1

36) chain C
residue 464
type
sequence H
description binding site for residue UFP C 602
source : AD1

37) chain C
residue 466
type
sequence Y
description binding site for residue UFP C 602
source : AD1

38) chain C
residue 257
type
sequence R
description binding site for residue D96 C 603
source : AD2

39) chain C
residue 284
type
sequence K
description binding site for residue D96 C 603
source : AD2

40) chain C
residue 287
type
sequence A
description binding site for residue D96 C 603
source : AD2

41) chain C
residue 315
type
sequence I
description binding site for residue D96 C 603
source : AD2

42) chain C
residue 319
type
sequence N
description binding site for residue D96 C 603
source : AD2

43) chain C
residue 426
type
sequence D
description binding site for residue D96 C 603
source : AD2

44) chain C
residue 429
type
sequence L
description binding site for residue D96 C 603
source : AD2

45) chain C
residue 430
type
sequence G
description binding site for residue D96 C 603
source : AD2

46) chain C
residue 433
type
sequence F
description binding site for residue D96 C 603
source : AD2

47) chain C
residue 515
type
sequence I
description binding site for residue D96 C 603
source : AD2

48) chain C
residue 520
type
sequence A
description binding site for residue D96 C 603
source : AD2

49) chain C
residue 9
type
sequence V
description binding site for residue MTX C 604
source : AD3

50) chain C
residue 10
type
sequence V
description binding site for residue MTX C 604
source : AD3

51) chain C
residue 11
type
sequence A
description binding site for residue MTX C 604
source : AD3

52) chain C
residue 25
type
sequence L
description binding site for residue MTX C 604
source : AD3

53) chain C
residue 32
type
sequence D
description binding site for residue MTX C 604
source : AD3

54) chain C
residue 33
type
sequence L
description binding site for residue MTX C 604
source : AD3

55) chain C
residue 36
type
sequence F
description binding site for residue MTX C 604
source : AD3

56) chain C
residue 37
type
sequence S
description binding site for residue MTX C 604
source : AD3

57) chain C
residue 58
type
sequence T
description binding site for residue MTX C 604
source : AD3

58) chain C
residue 62
type
sequence I
description binding site for residue MTX C 604
source : AD3

59) chain C
residue 67
type
sequence L
description binding site for residue MTX C 604
source : AD3

60) chain C
residue 70
type
sequence R
description binding site for residue MTX C 604
source : AD3

61) chain C
residue 113
type
sequence C
description binding site for residue MTX C 604
source : AD3

62) chain C
residue 119
type
sequence Y
description binding site for residue MTX C 604
source : AD3

63) chain C
residue 134
type
sequence T
description binding site for residue MTX C 604
source : AD3


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