eF-site ID 5hve-A
PDB Code 5hve
Chain A

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Title 5-methyl-6-(3'-trifluromethoxyphenylthio)[2,3-d]pyrimidine 2,4-diamine
Classification oxidoreductase/oxidoreductase inhibitor
Compound Dihydrofolate reductase
Source Homo sapiens (Human) (DYR_HUMAN)
Sequence A:  VGSLNCIVAVSQNMGIGKNGDLPWPPLRNEFRYFQRMTTT
SSVEGKQNLVIMGKKTWFSIPEKNRPLKGRINLVLSRELK
EPPQGAHFLSRSLDDALKLTEQPELANKVDMVWIVGGSSV
YKEAMNHPGHLKLFVTRIMQDFESDTFFPEIDLEKYKLLP
EYPGVLSDVQEEKGIKYKFEVYEKND
Description


Functional site

1) chain A
residue 7
type
sequence I
description binding site for residues 65Q A 201 and NDP A 202
source : AC1

2) chain A
residue 8
type
sequence V
description binding site for residues 65Q A 201 and NDP A 202
source : AC1

3) chain A
residue 9
type
sequence A
description binding site for residues 65Q A 201 and NDP A 202
source : AC1

4) chain A
residue 16
type
sequence I
description binding site for residues 65Q A 201 and NDP A 202
source : AC1

5) chain A
residue 17
type
sequence G
description binding site for residues 65Q A 201 and NDP A 202
source : AC1

6) chain A
residue 20
type
sequence G
description binding site for residues 65Q A 201 and NDP A 202
source : AC1

7) chain A
residue 21
type
sequence D
description binding site for residues 65Q A 201 and NDP A 202
source : AC1

8) chain A
residue 22
type
sequence L
description binding site for residues 65Q A 201 and NDP A 202
source : AC1

9) chain A
residue 30
type
sequence E
description binding site for residues 65Q A 201 and NDP A 202
source : AC1

10) chain A
residue 34
type
sequence F
description binding site for residues 65Q A 201 and NDP A 202
source : AC1

11) chain A
residue 53
type
sequence G
description binding site for residues 65Q A 201 and NDP A 202
source : AC1

12) chain A
residue 54
type
sequence K
description binding site for residues 65Q A 201 and NDP A 202
source : AC1

13) chain A
residue 55
type
sequence K
description binding site for residues 65Q A 201 and NDP A 202
source : AC1

14) chain A
residue 56
type
sequence T
description binding site for residues 65Q A 201 and NDP A 202
source : AC1

15) chain A
residue 59
type
sequence S
description binding site for residues 65Q A 201 and NDP A 202
source : AC1

16) chain A
residue 75
type
sequence L
description binding site for residues 65Q A 201 and NDP A 202
source : AC1

17) chain A
residue 76
type
sequence S
description binding site for residues 65Q A 201 and NDP A 202
source : AC1

18) chain A
residue 77
type
sequence R
description binding site for residues 65Q A 201 and NDP A 202
source : AC1

19) chain A
residue 78
type
sequence E
description binding site for residues 65Q A 201 and NDP A 202
source : AC1

20) chain A
residue 91
type
sequence R
description binding site for residues 65Q A 201 and NDP A 202
source : AC1

21) chain A
residue 92
type
sequence S
description binding site for residues 65Q A 201 and NDP A 202
source : AC1

22) chain A
residue 93
type
sequence L
description binding site for residues 65Q A 201 and NDP A 202
source : AC1

23) chain A
residue 115
type
sequence V
description binding site for residues 65Q A 201 and NDP A 202
source : AC1

24) chain A
residue 117
type
sequence G
description binding site for residues 65Q A 201 and NDP A 202
source : AC1

25) chain A
residue 118
type
sequence S
description binding site for residues 65Q A 201 and NDP A 202
source : AC1

26) chain A
residue 119
type
sequence S
description binding site for residues 65Q A 201 and NDP A 202
source : AC1

27) chain A
residue 120
type
sequence V
description binding site for residues 65Q A 201 and NDP A 202
source : AC1

28) chain A
residue 121
type
sequence Y
description binding site for residues 65Q A 201 and NDP A 202
source : AC1

29) chain A
residue 123
type
sequence E
description binding site for residues 65Q A 201 and NDP A 202
source : AC1

30) chain A
residue 136
type
sequence T
description binding site for residues 65Q A 201 and NDP A 202
source : AC1

31) chain A
residue 146
type
sequence T
description binding site for residues 65Q A 201 and NDP A 202
source : AC1

32) chain A
residue 7
type
sequence I
description binding site for residues 65Q A 201 and NDP A 202
source : AC2

33) chain A
residue 8
type
sequence V
description binding site for residues 65Q A 201 and NDP A 202
source : AC2

34) chain A
residue 9
type
sequence A
description binding site for residues 65Q A 201 and NDP A 202
source : AC2

35) chain A
residue 16
type
sequence I
description binding site for residues 65Q A 201 and NDP A 202
source : AC2

36) chain A
residue 17
type
sequence G
description binding site for residues 65Q A 201 and NDP A 202
source : AC2

37) chain A
residue 20
type
sequence G
description binding site for residues 65Q A 201 and NDP A 202
source : AC2

38) chain A
residue 21
type
sequence D
description binding site for residues 65Q A 201 and NDP A 202
source : AC2

39) chain A
residue 22
type
sequence L
description binding site for residues 65Q A 201 and NDP A 202
source : AC2

40) chain A
residue 30
type
sequence E
description binding site for residues 65Q A 201 and NDP A 202
source : AC2

41) chain A
residue 34
type
sequence F
description binding site for residues 65Q A 201 and NDP A 202
source : AC2

42) chain A
residue 53
type
sequence G
description binding site for residues 65Q A 201 and NDP A 202
source : AC2

43) chain A
residue 54
type
sequence K
description binding site for residues 65Q A 201 and NDP A 202
source : AC2

44) chain A
residue 55
type
sequence K
description binding site for residues 65Q A 201 and NDP A 202
source : AC2

45) chain A
residue 56
type
sequence T
description binding site for residues 65Q A 201 and NDP A 202
source : AC2

46) chain A
residue 59
type
sequence S
description binding site for residues 65Q A 201 and NDP A 202
source : AC2

47) chain A
residue 75
type
sequence L
description binding site for residues 65Q A 201 and NDP A 202
source : AC2

48) chain A
residue 76
type
sequence S
description binding site for residues 65Q A 201 and NDP A 202
source : AC2

49) chain A
residue 77
type
sequence R
description binding site for residues 65Q A 201 and NDP A 202
source : AC2

50) chain A
residue 78
type
sequence E
description binding site for residues 65Q A 201 and NDP A 202
source : AC2

51) chain A
residue 91
type
sequence R
description binding site for residues 65Q A 201 and NDP A 202
source : AC2

52) chain A
residue 92
type
sequence S
description binding site for residues 65Q A 201 and NDP A 202
source : AC2

53) chain A
residue 93
type
sequence L
description binding site for residues 65Q A 201 and NDP A 202
source : AC2

54) chain A
residue 115
type
sequence V
description binding site for residues 65Q A 201 and NDP A 202
source : AC2

55) chain A
residue 117
type
sequence G
description binding site for residues 65Q A 201 and NDP A 202
source : AC2

56) chain A
residue 118
type
sequence S
description binding site for residues 65Q A 201 and NDP A 202
source : AC2

57) chain A
residue 119
type
sequence S
description binding site for residues 65Q A 201 and NDP A 202
source : AC2

58) chain A
residue 120
type
sequence V
description binding site for residues 65Q A 201 and NDP A 202
source : AC2

59) chain A
residue 121
type
sequence Y
description binding site for residues 65Q A 201 and NDP A 202
source : AC2

60) chain A
residue 123
type
sequence E
description binding site for residues 65Q A 201 and NDP A 202
source : AC2

61) chain A
residue 136
type
sequence T
description binding site for residues 65Q A 201 and NDP A 202
source : AC2

62) chain A
residue 146
type
sequence T
description binding site for residues 65Q A 201 and NDP A 202
source : AC2

63) chain A
residue 22
type catalytic
sequence L
description 490
source MCSA : MCSA1

64) chain A
residue 30
type catalytic
sequence E
description 490
source MCSA : MCSA1

65) chain A
residue 15-38
type prosite
sequence GIGKNGDLPWPPLRNEFRYFQRMT
description DHFR_1 Dihydrofolate reductase (DHFR) domain signature. GIGkngdLPWpplrnEfryFqrmT
source prosite : PS00075

66) chain A
residue 9
type BINDING
sequence A
description BINDING => ECO:0000269|PubMed:15039552, ECO:0000269|PubMed:16222560, ECO:0000269|PubMed:19478082
source Swiss-Prot : SWS_FT_FI1

67) chain A
residue 15
type BINDING
sequence G
description BINDING => ECO:0000269|PubMed:15039552, ECO:0000269|PubMed:16222560, ECO:0000269|PubMed:19478082
source Swiss-Prot : SWS_FT_FI1

68) chain A
residue 54
type BINDING
sequence K
description BINDING => ECO:0000269|PubMed:15039552, ECO:0000269|PubMed:16222560, ECO:0000269|PubMed:19478082
source Swiss-Prot : SWS_FT_FI1

69) chain A
residue 76
type BINDING
sequence S
description BINDING => ECO:0000269|PubMed:15039552, ECO:0000269|PubMed:16222560, ECO:0000269|PubMed:19478082
source Swiss-Prot : SWS_FT_FI1

70) chain A
residue 116
type BINDING
sequence G
description BINDING => ECO:0000269|PubMed:15039552, ECO:0000269|PubMed:16222560, ECO:0000269|PubMed:19478082
source Swiss-Prot : SWS_FT_FI1

71) chain A
residue 30
type BINDING
sequence E
description BINDING => ECO:0000305|PubMed:2248959
source Swiss-Prot : SWS_FT_FI2

72) chain A
residue 64
type BINDING
sequence N
description BINDING => ECO:0000305|PubMed:2248959
source Swiss-Prot : SWS_FT_FI2

73) chain A
residue 70
type BINDING
sequence R
description BINDING => ECO:0000305|PubMed:2248959
source Swiss-Prot : SWS_FT_FI2


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