eF-site ID 3mfl-ABCMNO
PDB Code 3mfl
Chain A, B, C, M, N, O

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Title Axial Ligand Swapping In Double Mutant Maintains Intradiol-cleavage Chemistry in Protocatechuate 3,4-Dioxygenase
Classification OXIDOREDUCTASE
Compound Protocatechuate 3,4-dioxygenase alpha chain
Source Pseudomonas putida (Arthrobacter siderocapsulatus) (PCXB_PSEPU)
Sequence A:  PIELLPETPSQTAGPYVHIGLALEAAGNPTRDQEIWNRLA
KPDAPGEHILLLGQVYDGNGHLVRDSFLEVWQADANGEYQ
DAYNLENAFNSFGRTATTFDAGEWTLHTVKPGVVNNAAGV
PMAPHINISLFARGINIHLHTRLYFDDEAQANAKCPVLNL
IEQPQRRETLIAKRCEVDGKTAYRFDIRIQGEGETVFFDF
B:  PIELLPETPSQTAGPYVHIGLALEAAGNPTRDQEIWNRLA
KPDAPGEHILLLGQVYDGNGHLVRDSFLEVWQADANGEYQ
DAYNLENAFNSFGRTATTFDAGEWTLHTVKPGVVNNAAGV
PMAPHINISLFARGINIHLHTRLYFDDEAQANAKCPVLNL
IEQPQRRETLIAKRCEVDGKTAYRFDIRIQGEGETVFFDF
C:  PIELLPETPSQTAGPYVHIGLALEAAGNPTRDQEIWNRLA
KPDAPGEHILLLGQVYDGNGHLVRDSFLEVWQADANGEYQ
DAYNLENAFNSFGRTATTFDAGEWTLHTVKPGVVNNAAGV
PMAPHINISLFARGINIHLHTRLYFDDEAQANAKCPVLNL
IEQPQRRETLIAKRCEVDGKTAYRFDIRIQGEGETVFFDF
M:  PAQDNSRFVIRDRNWHPKALTPDYKTSIARSPRQALVSIP
QSISETTGPNFSHLGFGAHDHDLLLNFNNGGLPIGERIIV
AGRVVDQYGKPVPNTLVEMWQANAGGRYRHKNDRYLAPLD
PNFGGVGRCLTDSDGYYSFRTIKPGPHPWRNGPNDWRPAH
IYFGISGPSIATKLITQLYFEGDPLIPMCPIVKSIANPEA
VQQLIAKLDMNNANPMDCLAYRFDIVLRGQRKTHFENC
N:  PAQDNSRFVIRDRNWHPKALTPDYKTSIARSPRQALVSIP
QSISETTGPNFSHLGFGAHDHDLLLNFNNGGLPIGERIIV
AGRVVDQYGKPVPNTLVEMWQANAGGRYRHKNDRYLAPLD
PNFGGVGRCLTDSDGYYSFRTIKPGPHPWRNGPNDWRPAH
IYFGISGPSIATKLITQLYFEGDPLIPMCPIVKSIANPEA
VQQLIAKLDMNNANPMDCLAYRFDIVLRGQRKTHFENC
O:  PAQDNSRFVIRDRNWHPKALTPDYKTSIARSPRQALVSIP
QSISETTGPNFSHLGFGAHDHDLLLNFNNGGLPIGERIIV
AGRVVDQYGKPVPNTLVEMWQANAGGRYRHKNDRYLAPLD
PNFGGVGRCLTDSDGYYSFRTIKPGPHPWRNGPNDWRPAH
IYFGISGPSIATKLITQLYFEGDPLIPMCPIVKSIANPEA
VQQLIAKLDMNNANPMDCLAYRFDIVLRGQRKTHFENC
Description


Functional site

1) chain A
residue 37
type
sequence N
description BINDING SITE FOR RESIDUE SO4 A 201
source : AC1

2) chain A
residue 105
type
sequence T
description BINDING SITE FOR RESIDUE SO4 A 201
source : AC1

3) chain A
residue 107
type
sequence H
description BINDING SITE FOR RESIDUE SO4 A 201
source : AC1

4) chain A
residue 169
type
sequence T
description BINDING SITE FOR RESIDUE GOL A 202
source : AC2

5) chain A
residue 171
type
sequence I
description BINDING SITE FOR RESIDUE GOL A 202
source : AC2

6) chain A
residue 184
type
sequence R
description BINDING SITE FOR RESIDUE GOL A 202
source : AC2

7) chain A
residue 185
type
sequence F
description BINDING SITE FOR RESIDUE GOL A 202
source : AC2

8) chain A
residue 186
type
sequence D
description BINDING SITE FOR RESIDUE GOL A 202
source : AC2

9) chain A
residue 188
type
sequence R
description BINDING SITE FOR RESIDUE GOL A 202
source : AC2

10) chain A
residue 38
type
sequence R
description BINDING SITE FOR RESIDUE GOL A 203
source : AC3

11) chain A
residue 39
type
sequence L
description BINDING SITE FOR RESIDUE GOL A 203
source : AC3

12) chain A
residue 41
type
sequence K
description BINDING SITE FOR RESIDUE GOL A 203
source : AC3

13) chain A
residue 85
type
sequence L
description BINDING SITE FOR RESIDUE GOL A 203
source : AC3

14) chain A
residue 87
type
sequence N
description BINDING SITE FOR RESIDUE GOL A 203
source : AC3

15) chain A
residue 88
type
sequence A
description BINDING SITE FOR RESIDUE GOL A 203
source : AC3

16) chain A
residue 90
type
sequence N
description BINDING SITE FOR RESIDUE GOL A 203
source : AC3

17) chain A
residue 164
type
sequence P
description BINDING SITE FOR RESIDUE BME A 204
source : AC4

18) chain M
residue 408
type
sequence Y
description BINDING SITE FOR RESIDUE FE M 600
source : AC5

19) chain M
residue 447
type
sequence H
description BINDING SITE FOR RESIDUE FE M 600
source : AC5

20) chain M
residue 460
type
sequence H
description BINDING SITE FOR RESIDUE FE M 600
source : AC5

21) chain M
residue 462
type
sequence Y
description BINDING SITE FOR RESIDUE FE M 600
source : AC5

22) chain M
residue 383
type
sequence R
description BINDING SITE FOR RESIDUE CO3 M 1
source : AC6

23) chain A
residue 15
type
sequence P
description BINDING SITE FOR RESIDUE DHY M 539
source : AC7

24) chain A
residue 16
type
sequence Y
description BINDING SITE FOR RESIDUE DHY M 539
source : AC7

25) chain A
residue 133
type
sequence R
description BINDING SITE FOR RESIDUE DHY M 539
source : AC7

26) chain M
residue 408
type
sequence Y
description BINDING SITE FOR RESIDUE DHY M 539
source : AC7

27) chain M
residue 447
type
sequence H
description BINDING SITE FOR RESIDUE DHY M 539
source : AC7

28) chain M
residue 448
type
sequence P
description BINDING SITE FOR RESIDUE DHY M 539
source : AC7

29) chain M
residue 449
type
sequence W
description BINDING SITE FOR RESIDUE DHY M 539
source : AC7

30) chain M
residue 457
type
sequence R
description BINDING SITE FOR RESIDUE DHY M 539
source : AC7

31) chain M
residue 460
type
sequence H
description BINDING SITE FOR RESIDUE DHY M 539
source : AC7

32) chain M
residue 462
type
sequence Y
description BINDING SITE FOR RESIDUE DHY M 539
source : AC7

33) chain B
residue 37
type
sequence N
description BINDING SITE FOR RESIDUE SO4 B 201
source : AC8

34) chain B
residue 38
type
sequence R
description BINDING SITE FOR RESIDUE SO4 B 201
source : AC8

35) chain B
residue 105
type
sequence T
description BINDING SITE FOR RESIDUE SO4 B 201
source : AC8

36) chain B
residue 107
type
sequence H
description BINDING SITE FOR RESIDUE SO4 B 201
source : AC8

37) chain B
residue 168
type
sequence E
description BINDING SITE FOR RESIDUE GOL B 202
source : AC9

38) chain B
residue 169
type
sequence T
description BINDING SITE FOR RESIDUE GOL B 202
source : AC9

39) chain B
residue 171
type
sequence I
description BINDING SITE FOR RESIDUE GOL B 202
source : AC9

40) chain B
residue 184
type
sequence R
description BINDING SITE FOR RESIDUE GOL B 202
source : AC9

41) chain B
residue 185
type
sequence F
description BINDING SITE FOR RESIDUE GOL B 202
source : AC9

42) chain B
residue 186
type
sequence D
description BINDING SITE FOR RESIDUE GOL B 202
source : AC9

43) chain B
residue 188
type
sequence R
description BINDING SITE FOR RESIDUE GOL B 202
source : AC9

44) chain B
residue 23
type
sequence L
description BINDING SITE FOR RESIDUE BME B 203
source : BC1

45) chain B
residue 28
type
sequence N
description BINDING SITE FOR RESIDUE BME B 203
source : BC1

46) chain B
residue 29
type
sequence P
description BINDING SITE FOR RESIDUE BME B 203
source : BC1

47) chain N
residue 367
type
sequence F
description BINDING SITE FOR RESIDUE BME B 203
source : BC1

48) chain B
residue 69
type
sequence E
description BINDING SITE FOR RESIDUE BME B 204
source : BC2

49) chain B
residue 127
type
sequence N
description BINDING SITE FOR RESIDUE BME B 204
source : BC2

50) chain B
residue 128
type
sequence I
description BINDING SITE FOR RESIDUE BME B 204
source : BC2

51) chain B
residue 129
type
sequence S
description BINDING SITE FOR RESIDUE BME B 204
source : BC2

52) chain B
residue 140
type
sequence H
description BINDING SITE FOR RESIDUE BME B 204
source : BC2

53) chain N
residue 470
type
sequence I
description BINDING SITE FOR RESIDUE BME B 204
source : BC2

54) chain N
residue 408
type
sequence Y
description BINDING SITE FOR RESIDUE FE N 600
source : BC3

55) chain N
residue 447
type
sequence H
description BINDING SITE FOR RESIDUE FE N 600
source : BC3

56) chain N
residue 460
type
sequence H
description BINDING SITE FOR RESIDUE FE N 600
source : BC3

57) chain N
residue 462
type
sequence Y
description BINDING SITE FOR RESIDUE FE N 600
source : BC3

58) chain N
residue 383
type
sequence R
description BINDING SITE FOR RESIDUE SO4 N 4
source : BC4

59) chain N
residue 434
type
sequence D
description BINDING SITE FOR RESIDUE SO4 N 4
source : BC4

60) chain N
residue 503
type
sequence Q
description BINDING SITE FOR RESIDUE GOL N 1
source : BC5

61) chain N
residue 505
type
sequence I
description BINDING SITE FOR RESIDUE GOL N 1
source : BC5

62) chain N
residue 522
type
sequence R
description BINDING SITE FOR RESIDUE GOL N 1
source : BC5

63) chain N
residue 523
type
sequence F
description BINDING SITE FOR RESIDUE GOL N 1
source : BC5

64) chain N
residue 524
type
sequence D
description BINDING SITE FOR RESIDUE GOL N 1
source : BC5

65) chain B
residue 15
type
sequence P
description BINDING SITE FOR RESIDUE DHY N 539
source : BC6

66) chain B
residue 16
type
sequence Y
description BINDING SITE FOR RESIDUE DHY N 539
source : BC6

67) chain N
residue 408
type
sequence Y
description BINDING SITE FOR RESIDUE DHY N 539
source : BC6

68) chain N
residue 447
type
sequence H
description BINDING SITE FOR RESIDUE DHY N 539
source : BC6

69) chain N
residue 449
type
sequence W
description BINDING SITE FOR RESIDUE DHY N 539
source : BC6

70) chain N
residue 450
type
sequence R
description BINDING SITE FOR RESIDUE DHY N 539
source : BC6

71) chain N
residue 457
type
sequence R
description BINDING SITE FOR RESIDUE DHY N 539
source : BC6

72) chain N
residue 460
type
sequence H
description BINDING SITE FOR RESIDUE DHY N 539
source : BC6

73) chain N
residue 462
type
sequence Y
description BINDING SITE FOR RESIDUE DHY N 539
source : BC6

74) chain C
residue 37
type
sequence N
description BINDING SITE FOR RESIDUE SO4 C 201
source : BC7

75) chain C
residue 105
type
sequence T
description BINDING SITE FOR RESIDUE SO4 C 201
source : BC7

76) chain C
residue 107
type
sequence H
description BINDING SITE FOR RESIDUE SO4 C 201
source : BC7

77) chain C
residue 169
type
sequence T
description BINDING SITE FOR RESIDUE GOL C 202
source : BC8

78) chain C
residue 171
type
sequence I
description BINDING SITE FOR RESIDUE GOL C 202
source : BC8

79) chain C
residue 184
type
sequence R
description BINDING SITE FOR RESIDUE GOL C 202
source : BC8

80) chain C
residue 185
type
sequence F
description BINDING SITE FOR RESIDUE GOL C 202
source : BC8

81) chain C
residue 186
type
sequence D
description BINDING SITE FOR RESIDUE GOL C 202
source : BC8

82) chain C
residue 188
type
sequence R
description BINDING SITE FOR RESIDUE GOL C 202
source : BC8

83) chain O
residue 408
type
sequence Y
description BINDING SITE FOR RESIDUE FE O 600
source : BC9

84) chain O
residue 447
type
sequence H
description BINDING SITE FOR RESIDUE FE O 600
source : BC9

85) chain O
residue 460
type
sequence H
description BINDING SITE FOR RESIDUE FE O 600
source : BC9

86) chain O
residue 462
type
sequence Y
description BINDING SITE FOR RESIDUE FE O 600
source : BC9

87) chain O
residue 503
type
sequence Q
description BINDING SITE FOR RESIDUE GOL O 1
source : CC1

88) chain O
residue 505
type
sequence I
description BINDING SITE FOR RESIDUE GOL O 1
source : CC1

89) chain O
residue 507
type
sequence K
description BINDING SITE FOR RESIDUE GOL O 1
source : CC1

90) chain O
residue 522
type
sequence R
description BINDING SITE FOR RESIDUE GOL O 1
source : CC1

91) chain O
residue 523
type
sequence F
description BINDING SITE FOR RESIDUE GOL O 1
source : CC1

92) chain O
residue 524
type
sequence D
description BINDING SITE FOR RESIDUE GOL O 1
source : CC1

93) chain C
residue 15
type
sequence P
description BINDING SITE FOR RESIDUE DHY O 540
source : CC2

94) chain C
residue 16
type
sequence Y
description BINDING SITE FOR RESIDUE DHY O 540
source : CC2

95) chain O
residue 408
type
sequence Y
description BINDING SITE FOR RESIDUE DHY O 540
source : CC2

96) chain O
residue 447
type
sequence H
description BINDING SITE FOR RESIDUE DHY O 540
source : CC2

97) chain O
residue 449
type
sequence W
description BINDING SITE FOR RESIDUE DHY O 540
source : CC2

98) chain O
residue 450
type
sequence R
description BINDING SITE FOR RESIDUE DHY O 540
source : CC2

99) chain O
residue 457
type
sequence R
description BINDING SITE FOR RESIDUE DHY O 540
source : CC2

100) chain O
residue 460
type
sequence H
description BINDING SITE FOR RESIDUE DHY O 540
source : CC2

101) chain O
residue 462
type
sequence Y
description BINDING SITE FOR RESIDUE DHY O 540
source : CC2

102) chain M
residue 408
type catalytic
sequence Y
description 936
source MCSA : MCSA1

103) chain M
residue 447
type catalytic
sequence H
description 936
source MCSA : MCSA1

104) chain M
residue 457
type catalytic
sequence R
description 936
source MCSA : MCSA1

105) chain M
residue 460
type catalytic
sequence H
description 936
source MCSA : MCSA1

106) chain M
residue 462
type catalytic
sequence Y
description 936
source MCSA : MCSA1

107) chain N
residue 408
type catalytic
sequence Y
description 936
source MCSA : MCSA2

108) chain N
residue 447
type catalytic
sequence H
description 936
source MCSA : MCSA2

109) chain N
residue 457
type catalytic
sequence R
description 936
source MCSA : MCSA2

110) chain N
residue 460
type catalytic
sequence H
description 936
source MCSA : MCSA2

111) chain N
residue 462
type catalytic
sequence Y
description 936
source MCSA : MCSA2

112) chain O
residue 408
type catalytic
sequence Y
description 936
source MCSA : MCSA3

113) chain O
residue 447
type catalytic
sequence H
description 936
source MCSA : MCSA3

114) chain O
residue 457
type catalytic
sequence R
description 936
source MCSA : MCSA3

115) chain O
residue 460
type catalytic
sequence H
description 936
source MCSA : MCSA3

116) chain O
residue 462
type catalytic
sequence Y
description 936
source MCSA : MCSA3

117) chain M
residue 408
type BINDING
sequence Y
description BINDING => ECO:0000269|PubMed:7990141
source Swiss-Prot : SWS_FT_FI1

118) chain O
residue 447
type BINDING
sequence H
description BINDING => ECO:0000269|PubMed:7990141
source Swiss-Prot : SWS_FT_FI1

119) chain O
residue 460
type BINDING
sequence H
description BINDING => ECO:0000269|PubMed:7990141
source Swiss-Prot : SWS_FT_FI1

120) chain O
residue 462
type BINDING
sequence Y
description BINDING => ECO:0000269|PubMed:7990141
source Swiss-Prot : SWS_FT_FI1

121) chain M
residue 447
type BINDING
sequence H
description BINDING => ECO:0000269|PubMed:7990141
source Swiss-Prot : SWS_FT_FI1

122) chain M
residue 460
type BINDING
sequence H
description BINDING => ECO:0000269|PubMed:7990141
source Swiss-Prot : SWS_FT_FI1

123) chain M
residue 462
type BINDING
sequence Y
description BINDING => ECO:0000269|PubMed:7990141
source Swiss-Prot : SWS_FT_FI1

124) chain N
residue 408
type BINDING
sequence Y
description BINDING => ECO:0000269|PubMed:7990141
source Swiss-Prot : SWS_FT_FI1

125) chain N
residue 447
type BINDING
sequence H
description BINDING => ECO:0000269|PubMed:7990141
source Swiss-Prot : SWS_FT_FI1

126) chain N
residue 460
type BINDING
sequence H
description BINDING => ECO:0000269|PubMed:7990141
source Swiss-Prot : SWS_FT_FI1

127) chain N
residue 462
type BINDING
sequence Y
description BINDING => ECO:0000269|PubMed:7990141
source Swiss-Prot : SWS_FT_FI1

128) chain O
residue 408
type BINDING
sequence Y
description BINDING => ECO:0000269|PubMed:7990141
source Swiss-Prot : SWS_FT_FI1

129) chain A
residue 51-79
type prosite
sequence LLGQVYDGNGHLVRDSFLEVWQADANGEY
description INTRADIOL_DIOXYGENAS Intradiol ring-cleavage dioxygenases signature. LlGqVydgnGhlVrdsfLEVwqadanGeY
source prosite : PS00083

130) chain M
residue 380-408
type prosite
sequence VAGRVVDQYGKPVPNTLVEMWQANAGGRY
description INTRADIOL_DIOXYGENAS Intradiol ring-cleavage dioxygenases signature. LlGqVydgnGhlVrdsfLEVwqadanGeY
source prosite : PS00083


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