eF-site ID 4ej1-ABCD
PDB Code 4ej1
Chain A, B, C, D

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Title Binding of Nb113 camelid antibody fragment with the binary DHFR:folate complex
Classification Oxidoreductase/Immune system
Compound Dihydrofolate reductase
Source Escherichia coli (strain K12) (4EJ1)
Sequence A:  MISLIAALAVDRVIGMENAMPWNLPADLAWFKRNTLNKPV
IMGRHTWESIGRPLPGRKNIILSSQPGTDDRVTWVKSVDE
AIAACGDVPEIMVIGGGRVYEQFLPKAQKLYLTHIDAEVE
GDTHFPDYEPDDWESVFSEFHDADAQNSHSYCFEILERR
B:  MISLIAALAVDRVIGMENAMPWNLPADLAWFKRNTLNKPV
IMGRHTWESIGRPLPGRKNIILSSQPGTDDRVTWVKSVDE
AIAACGDVPEIMVIGGGRVYEQFLPKAQKLYLTHIDAEVE
GDTHFPDYEPDDWESVFSEFHDADAQNSHSYCFEILERR
C:  QLQESGGGLVQAGGSLRLSCTASGRTFSSYAMGWFRQTPG
KEREFVAAITWGGSTTLYADSVKGRFTMSRDNAKNTVYLQ
MNSLKPEDTAVYYCAADGSQYRSTYSFRDKPDYGSWGQGT
QVTVSS
D:  QLQESGGGLVQAGGSLRLSCTASGRTFSSYAMGWFRQTPG
KEREFVAAITWGGSTTLYADSVKGRFTMSRDNAKNTVYLQ
MNSLKPEDTAVYYCAADGSQYRSTYSFRDKPDYGSWGQGT
QVTVSS
Description (1)  Dihydrofolate reductase (E.C.1.5.1.3), Nb113 camelid antibody fragment


Functional site

1) chain A
residue 5
type
sequence I
description BINDING SITE FOR RESIDUE FOL A 201
source : AC1

2) chain A
residue 6
type
sequence A
description BINDING SITE FOR RESIDUE FOL A 201
source : AC1

3) chain A
residue 7
type
sequence A
description BINDING SITE FOR RESIDUE FOL A 201
source : AC1

4) chain A
residue 17
type
sequence E
description BINDING SITE FOR RESIDUE FOL A 201
source : AC1

5) chain A
residue 27
type
sequence D
description BINDING SITE FOR RESIDUE FOL A 201
source : AC1

6) chain A
residue 28
type
sequence L
description BINDING SITE FOR RESIDUE FOL A 201
source : AC1

7) chain A
residue 31
type
sequence F
description BINDING SITE FOR RESIDUE FOL A 201
source : AC1

8) chain A
residue 32
type
sequence K
description BINDING SITE FOR RESIDUE FOL A 201
source : AC1

9) chain A
residue 50
type
sequence I
description BINDING SITE FOR RESIDUE FOL A 201
source : AC1

10) chain A
residue 52
type
sequence R
description BINDING SITE FOR RESIDUE FOL A 201
source : AC1

11) chain A
residue 57
type
sequence R
description BINDING SITE FOR RESIDUE FOL A 201
source : AC1

12) chain A
residue 94
type
sequence I
description BINDING SITE FOR RESIDUE FOL A 201
source : AC1

13) chain A
residue 100
type
sequence Y
description BINDING SITE FOR RESIDUE FOL A 201
source : AC1

14) chain A
residue 113
type
sequence T
description BINDING SITE FOR RESIDUE FOL A 201
source : AC1

15) chain A
residue 43
type
sequence G
description BINDING SITE FOR RESIDUE PO4 A 202
source : AC2

16) chain A
residue 44
type
sequence R
description BINDING SITE FOR RESIDUE PO4 A 202
source : AC2

17) chain A
residue 45
type
sequence H
description BINDING SITE FOR RESIDUE PO4 A 202
source : AC2

18) chain A
residue 46
type
sequence T
description BINDING SITE FOR RESIDUE PO4 A 202
source : AC2

19) chain A
residue 96
type
sequence G
description BINDING SITE FOR RESIDUE PO4 A 202
source : AC2

20) chain A
residue 44
type
sequence R
description BINDING SITE FOR RESIDUE PO4 A 203
source : AC3

21) chain A
residue 63
type
sequence S
description BINDING SITE FOR RESIDUE PO4 A 203
source : AC3

22) chain A
residue 64
type
sequence S
description BINDING SITE FOR RESIDUE PO4 A 203
source : AC3

23) chain A
residue 144
type
sequence D
description BINDING SITE FOR RESIDUE PO4 A 204
source : AC4

24) chain A
residue 145
type
sequence A
description BINDING SITE FOR RESIDUE PO4 A 204
source : AC4

25) chain A
residue 146
type
sequence Q
description BINDING SITE FOR RESIDUE PO4 A 204
source : AC4

26) chain C
residue 76
type
sequence K
description BINDING SITE FOR RESIDUE PO4 A 204
source : AC4

27) chain B
residue 5
type
sequence I
description BINDING SITE FOR RESIDUE FOL B 201
source : AC5

28) chain B
residue 6
type
sequence A
description BINDING SITE FOR RESIDUE FOL B 201
source : AC5

29) chain B
residue 7
type
sequence A
description BINDING SITE FOR RESIDUE FOL B 201
source : AC5

30) chain B
residue 17
type
sequence E
description BINDING SITE FOR RESIDUE FOL B 201
source : AC5

31) chain B
residue 27
type
sequence D
description BINDING SITE FOR RESIDUE FOL B 201
source : AC5

32) chain B
residue 31
type
sequence F
description BINDING SITE FOR RESIDUE FOL B 201
source : AC5

33) chain B
residue 32
type
sequence K
description BINDING SITE FOR RESIDUE FOL B 201
source : AC5

34) chain B
residue 54
type
sequence L
description BINDING SITE FOR RESIDUE FOL B 201
source : AC5

35) chain B
residue 57
type
sequence R
description BINDING SITE FOR RESIDUE FOL B 201
source : AC5

36) chain B
residue 94
type
sequence I
description BINDING SITE FOR RESIDUE FOL B 201
source : AC5

37) chain B
residue 100
type
sequence Y
description BINDING SITE FOR RESIDUE FOL B 201
source : AC5

38) chain B
residue 113
type
sequence T
description BINDING SITE FOR RESIDUE FOL B 201
source : AC5

39) chain B
residue 43
type
sequence G
description BINDING SITE FOR RESIDUE PO4 B 202
source : AC6

40) chain B
residue 44
type
sequence R
description BINDING SITE FOR RESIDUE PO4 B 202
source : AC6

41) chain B
residue 45
type
sequence H
description BINDING SITE FOR RESIDUE PO4 B 202
source : AC6

42) chain B
residue 46
type
sequence T
description BINDING SITE FOR RESIDUE PO4 B 202
source : AC6

43) chain B
residue 96
type
sequence G
description BINDING SITE FOR RESIDUE PO4 B 202
source : AC6

44) chain B
residue 99
type
sequence V
description BINDING SITE FOR RESIDUE PO4 B 202
source : AC6

45) chain B
residue 44
type
sequence R
description BINDING SITE FOR RESIDUE PO4 B 203
source : AC7

46) chain B
residue 63
type
sequence S
description BINDING SITE FOR RESIDUE PO4 B 203
source : AC7

47) chain B
residue 64
type
sequence S
description BINDING SITE FOR RESIDUE PO4 B 203
source : AC7

48) chain B
residue 98
type
sequence R
description BINDING SITE FOR RESIDUE PO4 B 203
source : AC7

49) chain D
residue 27
type
sequence R
description BINDING SITE FOR RESIDUE PO4 B 203
source : AC7

50) chain B
residue 144
type
sequence D
description BINDING SITE FOR RESIDUE PO4 B 204
source : AC8

51) chain B
residue 145
type
sequence A
description BINDING SITE FOR RESIDUE PO4 B 204
source : AC8

52) chain B
residue 146
type
sequence Q
description BINDING SITE FOR RESIDUE PO4 B 204
source : AC8

53) chain D
residue 76
type
sequence K
description BINDING SITE FOR RESIDUE PO4 B 204
source : AC8

54) chain A
residue 13-35
type prosite
sequence VIGMENAMPWNLPADLAWFKRNT
description DHFR_1 Dihydrofolate reductase (DHFR) domain signature. VIGmenaMPWnlpa.DlawFkrnT
source prosite : PS00075

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

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

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

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

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

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

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

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

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

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

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

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

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

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

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

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

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

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

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

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

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

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


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