eF-site ID 1drb-AB
PDB Code 1drb
Chain A, B

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Title CRYSTAL STRUCTURE OF UNLIGANDED ESCHERICHIA COLI DIHYDROFOLATE REDUCTASE. LIGAND-INDUCED CONFORMATIONAL CHANGES AND COOPERATIVITY IN BINDING
Classification OXIDOREDUCTASE
Compound DIHYDROFOLATE REDUCTASE
Source null (DYR_ECOLI)
Sequence A:  MISLIAALAVDRVIGMENAMPWNLPACLAWFKRNTLDKPV
IMGRHTWESIGRPLPGRKNIILSSQPGTDDRVTWVKSVDE
AIAACGDVPEIMVIGGGRVYEQFLPKAQKLYLTHIDAEVE
GDTHFPDYEPDDWESVFSEFHDADAQNSHSYCFEILERR
B:  MISLIAALAVDRVIGMENAMPWNLPACLAWFKRNTLDKPV
IMGRHTWESIGRPLPGRKNIILSSQPGTDDRVTWVKSVDE
AIAACGDVPEIMVIGGGRVYEQFLPKAQKLYLTHIDAEVE
GDTHFPDYEPDDWESVFSEFHDADAQNSHSYCFEILERR
Description


Functional site

1) chain A
residue 5
type
sequence I
description
source : APT

2) chain A
residue 6
type
sequence A
description
source : APT

3) chain A
residue 7
type
sequence A
description
source : APT

4) chain A
residue 22
type
sequence W
description
source : APT

5) chain A
residue 27
type
sequence C
description
source : APT

6) chain A
residue 28
type
sequence L
description
source : APT

7) chain A
residue 31
type
sequence F
description
source : APT

8) chain A
residue 94
type
sequence I
description
source : APT

9) chain A
residue 113
type
sequence T
description
source : APT

10) chain A
residue 49
type
sequence S
description
source : ANM

11) chain A
residue 28
type
sequence L
description
source : AAB

12) chain A
residue 31
type
sequence F
description
source : AAB

13) chain A
residue 50
type
sequence I
description
source : AAB

14) chain A
residue 52
type
sequence R
description
source : AAB

15) chain A
residue 54
type
sequence L
description
source : AAB

16) chain A
residue 28
type
sequence L
description
source : AGL

17) chain A
residue 31
type
sequence F
description
source : AGL

18) chain A
residue 32
type
sequence K
description
source : AGL

19) chain A
residue 54
type
sequence L
description
source : AGL

20) chain A
residue 57
type
sequence R
description
source : AGL

21) chain B
residue 5
type
sequence I
description
source : BPT

22) chain B
residue 6
type
sequence A
description
source : BPT

23) chain B
residue 7
type
sequence A
description
source : BPT

24) chain B
residue 22
type
sequence W
description
source : BPT

25) chain B
residue 27
type
sequence C
description
source : BPT

26) chain B
residue 28
type
sequence L
description
source : BPT

27) chain B
residue 31
type
sequence F
description
source : BPT

28) chain B
residue 94
type
sequence I
description
source : BPT

29) chain B
residue 113
type
sequence T
description
source : BPT

30) chain B
residue 49
type
sequence S
description
source : BNM

31) chain B
residue 28
type
sequence L
description
source : BAB

32) chain B
residue 31
type
sequence F
description
source : BAB

33) chain B
residue 50
type
sequence I
description
source : BAB

34) chain B
residue 52
type
sequence R
description
source : BAB

35) chain B
residue 54
type
sequence L
description
source : BAB

36) chain B
residue 28
type
sequence L
description
source : BGL

37) chain B
residue 31
type
sequence F
description
source : BGL

38) chain B
residue 32
type
sequence K
description
source : BGL

39) chain B
residue 54
type
sequence L
description
source : BGL

40) chain B
residue 57
type
sequence R
description
source : BGL

41) chain A
residue 43
type
sequence G
description BINDING SITE FOR RESIDUE CL A 401
source : AC1

42) chain A
residue 45
type
sequence H
description BINDING SITE FOR RESIDUE CL A 401
source : AC1

43) chain A
residue 46
type
sequence T
description BINDING SITE FOR RESIDUE CL A 401
source : AC1

44) chain A
residue 96
type
sequence G
description BINDING SITE FOR RESIDUE CL A 401
source : AC1

45) chain B
residue 43
type
sequence G
description BINDING SITE FOR RESIDUE CL B 605
source : AC2

46) chain B
residue 45
type
sequence H
description BINDING SITE FOR RESIDUE CL B 605
source : AC2

47) chain B
residue 46
type
sequence T
description BINDING SITE FOR RESIDUE CL B 605
source : AC2

48) chain B
residue 96
type
sequence G
description BINDING SITE FOR RESIDUE CL B 605
source : AC2

49) chain B
residue 135
type
sequence S
description BINDING SITE FOR RESIDUE CA B 620
source : AC3

50) chain A
residue 5
type
sequence I
description BINDING SITE FOR RESIDUE MTX A 161
source : AC4

51) chain A
residue 6
type
sequence A
description BINDING SITE FOR RESIDUE MTX A 161
source : AC4

52) chain A
residue 7
type
sequence A
description BINDING SITE FOR RESIDUE MTX A 161
source : AC4

53) chain A
residue 31
type
sequence F
description BINDING SITE FOR RESIDUE MTX A 161
source : AC4

54) chain A
residue 32
type
sequence K
description BINDING SITE FOR RESIDUE MTX A 161
source : AC4

55) chain A
residue 50
type
sequence I
description BINDING SITE FOR RESIDUE MTX A 161
source : AC4

56) chain A
residue 52
type
sequence R
description BINDING SITE FOR RESIDUE MTX A 161
source : AC4

57) chain A
residue 57
type
sequence R
description BINDING SITE FOR RESIDUE MTX A 161
source : AC4

58) chain A
residue 94
type
sequence I
description BINDING SITE FOR RESIDUE MTX A 161
source : AC4

59) chain A
residue 100
type
sequence Y
description BINDING SITE FOR RESIDUE MTX A 161
source : AC4

60) chain A
residue 113
type
sequence T
description BINDING SITE FOR RESIDUE MTX A 161
source : AC4

61) chain B
residue 5
type
sequence I
description BINDING SITE FOR RESIDUE MTX B 361
source : AC5

62) chain B
residue 6
type
sequence A
description BINDING SITE FOR RESIDUE MTX B 361
source : AC5

63) chain B
residue 7
type
sequence A
description BINDING SITE FOR RESIDUE MTX B 361
source : AC5

64) chain B
residue 31
type
sequence F
description BINDING SITE FOR RESIDUE MTX B 361
source : AC5

65) chain B
residue 32
type
sequence K
description BINDING SITE FOR RESIDUE MTX B 361
source : AC5

66) chain B
residue 50
type
sequence I
description BINDING SITE FOR RESIDUE MTX B 361
source : AC5

67) chain B
residue 52
type
sequence R
description BINDING SITE FOR RESIDUE MTX B 361
source : AC5

68) chain B
residue 57
type
sequence R
description BINDING SITE FOR RESIDUE MTX B 361
source : AC5

69) chain B
residue 94
type
sequence I
description BINDING SITE FOR RESIDUE MTX B 361
source : AC5

70) chain B
residue 100
type
sequence Y
description BINDING SITE FOR RESIDUE MTX B 361
source : AC5

71) chain B
residue 113
type
sequence T
description BINDING SITE FOR RESIDUE MTX B 361
source : AC5

72) chain A
residue 27
type
sequence C
description BINDING SITE FOR RESIDUE EOH A 900
source : AC6

73) chain B
residue 7
type
sequence A
description BINDING SITE FOR RESIDUE EOH B 918
source : AC7

74) chain B
residue 27
type
sequence C
description BINDING SITE FOR RESIDUE EOH B 918
source : AC7

75) chain A
residue 5
type BINDING
sequence I
description BINDING => ECO:0000305|PubMed:9012674
source Swiss-Prot : SWS_FT_FI1

76) chain A
residue 27
type BINDING
sequence C
description BINDING => ECO:0000305|PubMed:9012674
source Swiss-Prot : SWS_FT_FI1

77) chain A
residue 52
type BINDING
sequence R
description BINDING => ECO:0000305|PubMed:9012674
source Swiss-Prot : SWS_FT_FI1

78) chain A
residue 57
type BINDING
sequence R
description BINDING => ECO:0000305|PubMed:9012674
source Swiss-Prot : SWS_FT_FI1

79) chain A
residue 113
type BINDING
sequence T
description BINDING => ECO:0000305|PubMed:9012674
source Swiss-Prot : SWS_FT_FI1

80) chain B
residue 5
type BINDING
sequence I
description BINDING => ECO:0000305|PubMed:9012674
source Swiss-Prot : SWS_FT_FI1

81) chain B
residue 27
type BINDING
sequence C
description BINDING => ECO:0000305|PubMed:9012674
source Swiss-Prot : SWS_FT_FI1

82) chain B
residue 52
type BINDING
sequence R
description BINDING => ECO:0000305|PubMed:9012674
source Swiss-Prot : SWS_FT_FI1

83) chain B
residue 113
type BINDING
sequence T
description BINDING => ECO:0000305|PubMed:9012674
source Swiss-Prot : SWS_FT_FI1

84) chain B
residue 57
type BINDING
sequence R
description BINDING => ECO:0000305|PubMed:9012674
source Swiss-Prot : SWS_FT_FI1

85) chain B
residue 63
type BINDING
sequence S
description BINDING => ECO:0000269|PubMed:19374017
source Swiss-Prot : SWS_FT_FI2

86) chain B
residue 76
type BINDING
sequence K
description BINDING => ECO:0000269|PubMed:19374017
source Swiss-Prot : SWS_FT_FI2

87) chain B
residue 95
type BINDING
sequence G
description BINDING => ECO:0000269|PubMed:19374017
source Swiss-Prot : SWS_FT_FI2

88) chain A
residue 45
type BINDING
sequence H
description BINDING => ECO:0000269|PubMed:19374017
source Swiss-Prot : SWS_FT_FI2

89) chain A
residue 63
type BINDING
sequence S
description BINDING => ECO:0000269|PubMed:19374017
source Swiss-Prot : SWS_FT_FI2

90) chain A
residue 76
type BINDING
sequence K
description BINDING => ECO:0000269|PubMed:19374017
source Swiss-Prot : SWS_FT_FI2

91) chain A
residue 95
type BINDING
sequence G
description BINDING => ECO:0000269|PubMed:19374017
source Swiss-Prot : SWS_FT_FI2

92) chain B
residue 7
type BINDING
sequence A
description BINDING => ECO:0000269|PubMed:19374017
source Swiss-Prot : SWS_FT_FI2

93) chain B
residue 13
type BINDING
sequence V
description BINDING => ECO:0000269|PubMed:19374017
source Swiss-Prot : SWS_FT_FI2

94) chain B
residue 45
type BINDING
sequence H
description BINDING => ECO:0000269|PubMed:19374017
source Swiss-Prot : SWS_FT_FI2

95) chain A
residue 7
type BINDING
sequence A
description BINDING => ECO:0000269|PubMed:19374017
source Swiss-Prot : SWS_FT_FI2

96) chain A
residue 13
type BINDING
sequence V
description BINDING => ECO:0000269|PubMed:19374017
source Swiss-Prot : SWS_FT_FI2


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