eF-site ID 4ur1-AB
PDB Code 4ur1
Chain A, B

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Title Crystal structure of the PCE reductive dehalogenase from S. multivorans in complex with dibromoethene
Classification OXIDOREDUCTASE
Compound TETRACHLOROETHENE REDUCTIVE DEHALOGENASE CATALYTIC SUBUNIT PCEA
Source ORGANISM_SCIENTIFIC: SULFUROSPIRILLUM MULTIVORANS;
Sequence A:  AEKEKNAAEIRQQFAMTAGSPIIVNDKLERYAEVRTAFTH
PTSFFKPNYKGEVKPWFLSAYDEKVRQIENGENGPKMKAK
NVGEARAGRALEAAGWTLDINYGNIYPNRFFMLWSGETMT
NTQLWAPVGLDRRPPDTTDPVELTNYVKFAARMAGADLVG
VARLNRNWVYSEAVTIPADVPYEQSLHKEIEKPIVFKDVP
LPIETDDELIIPNTCENVIVAGIAMNREMMQTAPNSMACA
TTAFCYSRMCMFDMWLCQFIRYMGYYAIPSCNGVGQSVAF
AVEAGLGQASRMGACITPEFGPNVRLTKVFTNMPLVPDKP
IDFGVTEFCETCKKCARECPSKAITEGPRTFEGRSIHNQS
GKLQWQNDYNKCLGYWPESGGYCGVCVAVCPFTKGNIWIH
DGVEWLIDNTRFLDPLMNITEVWDGKINTYGLDADHFRDT
VSFRKDRVK
B:  KNAAEIRQQFAMTAGSPIIVNDKLERYAEVRTAFTHPTSF
FKPNYKGEVKPWFLSAYDEKVRQIENGENGPKMKAKNVGE
ARAGRALEAAGWTLDINYGNIYPNRFFMLWSGETMTNTQL
WAPVGLDRRPPDTTDPVELTNYVKFAARMAGADLVGVARL
NRNWVYSEAVTIPADVPYEQSLHKEIEKPIVFKDVPLPIE
TDDELIIPNTCENVIVAGIAMNREMMQTAPNSMACATTAF
CYSRMCMFDMWLCQFIRYMGYYAIPSCNGVGQSVAFAVEA
GLGQASRMGACITPEFGPNVRLTKVFTNMPLVPDKPIDFG
VTEFCETCKKCARECPSKAITEGPRTFEGRSIHNQSGKLQ
WQNDYNKCLGYWPESGGYCGVCVAVCPFTKGNIWIHDGVE
WLIDNTRNITEVWDGKINTYGLDADHFRDTVSFRKDRV
Description (1)  TETRACHLOROETHENE REDUCTIVE DEHALOGENASE CATALYTIC SUBUNIT PCEA (E.C.1.97.1.8)


Functional site

1) chain A
residue 291
type
sequence R
description BINDING SITE FOR RESIDUE SF4 A 501
source : AC1

2) chain A
residue 292
type
sequence M
description BINDING SITE FOR RESIDUE SF4 A 501
source : AC1

3) chain A
residue 329
type
sequence C
description BINDING SITE FOR RESIDUE SF4 A 501
source : AC1

4) chain A
residue 332
type
sequence C
description BINDING SITE FOR RESIDUE SF4 A 501
source : AC1

5) chain A
residue 333
type
sequence K
description BINDING SITE FOR RESIDUE SF4 A 501
source : AC1

6) chain A
residue 335
type
sequence C
description BINDING SITE FOR RESIDUE SF4 A 501
source : AC1

7) chain A
residue 390
type
sequence C
description BINDING SITE FOR RESIDUE SF4 A 501
source : AC1

8) chain A
residue 339
type
sequence C
description BINDING SITE FOR RESIDUE SF4 A 502
source : AC2

9) chain A
residue 340
type
sequence P
description BINDING SITE FOR RESIDUE SF4 A 502
source : AC2

10) chain A
residue 341
type
sequence S
description BINDING SITE FOR RESIDUE SF4 A 502
source : AC2

11) chain A
residue 372
type
sequence C
description BINDING SITE FOR RESIDUE SF4 A 502
source : AC2

12) chain A
residue 383
type
sequence C
description BINDING SITE FOR RESIDUE SF4 A 502
source : AC2

13) chain A
residue 384
type
sequence G
description BINDING SITE FOR RESIDUE SF4 A 502
source : AC2

14) chain A
residue 386
type
sequence C
description BINDING SITE FOR RESIDUE SF4 A 502
source : AC2

15) chain A
residue 31
type
sequence Y
description BINDING SITE FOR RESIDUE BVQ A 503
source : AC3

16) chain A
residue 36
type
sequence T
description BINDING SITE FOR RESIDUE BVQ A 503
source : AC3

17) chain A
residue 37
type
sequence A
description BINDING SITE FOR RESIDUE BVQ A 503
source : AC3

18) chain A
residue 38
type
sequence F
description BINDING SITE FOR RESIDUE BVQ A 503
source : AC3

19) chain A
residue 170
type
sequence Y
description BINDING SITE FOR RESIDUE BVQ A 503
source : AC3

20) chain A
residue 242
type
sequence T
description BINDING SITE FOR RESIDUE BVQ A 503
source : AC3

21) chain A
residue 246
type
sequence Y
description BINDING SITE FOR RESIDUE BVQ A 503
source : AC3

22) chain A
residue 249
type
sequence M
description BINDING SITE FOR RESIDUE BVQ A 503
source : AC3

23) chain A
residue 272
type
sequence N
description BINDING SITE FOR RESIDUE BVQ A 503
source : AC3

24) chain A
residue 275
type
sequence G
description BINDING SITE FOR RESIDUE BVQ A 503
source : AC3

25) chain A
residue 276
type
sequence Q
description BINDING SITE FOR RESIDUE BVQ A 503
source : AC3

26) chain A
residue 277
type
sequence S
description BINDING SITE FOR RESIDUE BVQ A 503
source : AC3

27) chain A
residue 278
type
sequence V
description BINDING SITE FOR RESIDUE BVQ A 503
source : AC3

28) chain A
residue 289
type
sequence A
description BINDING SITE FOR RESIDUE BVQ A 503
source : AC3

29) chain A
residue 292
type
sequence M
description BINDING SITE FOR RESIDUE BVQ A 503
source : AC3

30) chain A
residue 293
type
sequence G
description BINDING SITE FOR RESIDUE BVQ A 503
source : AC3

31) chain A
residue 294
type
sequence A
description BINDING SITE FOR RESIDUE BVQ A 503
source : AC3

32) chain A
residue 295
type
sequence C
description BINDING SITE FOR RESIDUE BVQ A 503
source : AC3

33) chain A
residue 302
type
sequence P
description BINDING SITE FOR RESIDUE BVQ A 503
source : AC3

34) chain A
residue 304
type
sequence V
description BINDING SITE FOR RESIDUE BVQ A 503
source : AC3

35) chain A
residue 305
type
sequence R
description BINDING SITE FOR RESIDUE BVQ A 503
source : AC3

36) chain A
residue 306
type
sequence L
description BINDING SITE FOR RESIDUE BVQ A 503
source : AC3

37) chain A
residue 357
type
sequence H
description BINDING SITE FOR RESIDUE BVQ A 503
source : AC3

38) chain A
residue 358
type
sequence N
description BINDING SITE FOR RESIDUE BVQ A 503
source : AC3

39) chain A
residue 359
type
sequence Q
description BINDING SITE FOR RESIDUE BVQ A 503
source : AC3

40) chain A
residue 362
type
sequence K
description BINDING SITE FOR RESIDUE BVQ A 503
source : AC3

41) chain A
residue 364
type
sequence Q
description BINDING SITE FOR RESIDUE BVQ A 503
source : AC3

42) chain A
residue 369
type
sequence Y
description BINDING SITE FOR RESIDUE BVQ A 503
source : AC3

43) chain A
residue 372
type
sequence C
description BINDING SITE FOR RESIDUE BVQ A 503
source : AC3

44) chain A
residue 376
type
sequence W
description BINDING SITE FOR RESIDUE BVQ A 503
source : AC3

45) chain A
residue 382
type
sequence Y
description BINDING SITE FOR RESIDUE BVQ A 503
source : AC3

46) chain A
residue 387
type
sequence V
description BINDING SITE FOR RESIDUE BVQ A 503
source : AC3

47) chain A
residue 56
type
sequence W
description BINDING SITE FOR RESIDUE CB0 A 505
source : AC4

48) chain A
residue 102
type
sequence Y
description BINDING SITE FOR RESIDUE CB0 A 505
source : AC4

49) chain A
residue 246
type
sequence Y
description BINDING SITE FOR RESIDUE CB0 A 505
source : AC4

50) chain A
residue 376
type
sequence W
description BINDING SITE FOR RESIDUE CB0 A 505
source : AC4

51) chain A
residue 39
type
sequence T
description BINDING SITE FOR RESIDUE BEN A 511
source : AC5

52) chain A
residue 44
type
sequence F
description BINDING SITE FOR RESIDUE BEN A 511
source : AC5

53) chain A
residue 45
type
sequence F
description BINDING SITE FOR RESIDUE BEN A 511
source : AC5

54) chain A
residue 186
type
sequence L
description BINDING SITE FOR RESIDUE BEN A 511
source : AC5

55) chain A
residue 189
type
sequence E
description BINDING SITE FOR RESIDUE BEN A 511
source : AC5

56) chain A
residue 408
type
sequence D
description BINDING SITE FOR RESIDUE BEN A 511
source : AC5

57) chain A
residue 42
type
sequence T
description BINDING SITE FOR RESIDUE BEN A 512
source : AC6

58) chain A
residue 401
type
sequence D
description BINDING SITE FOR RESIDUE BEN A 512
source : AC6

59) chain A
residue 404
type
sequence E
description BINDING SITE FOR RESIDUE BEN A 512
source : AC6

60) chain A
residue 406
type
sequence L
description BINDING SITE FOR RESIDUE BEN A 512
source : AC6

61) chain B
residue 53
type
sequence V
description BINDING SITE FOR RESIDUE BEN A 512
source : AC6

62) chain A
residue 38
type
sequence F
description BINDING SITE FOR RESIDUE GOL A 513
source : AC7

63) chain A
residue 44
type
sequence F
description BINDING SITE FOR RESIDUE GOL A 513
source : AC7

64) chain A
residue 56
type
sequence W
description BINDING SITE FOR RESIDUE GOL A 513
source : AC7

65) chain A
residue 101
type
sequence N
description BINDING SITE FOR RESIDUE GOL A 513
source : AC7

66) chain A
residue 189
type
sequence E
description BINDING SITE FOR RESIDUE GOL A 513
source : AC7

67) chain A
residue 110
type
sequence F
description BINDING SITE FOR RESIDUE GOL A 514
source : AC8

68) chain A
residue 113
type
sequence L
description BINDING SITE FOR RESIDUE GOL A 514
source : AC8

69) chain A
residue 119
type
sequence M
description BINDING SITE FOR RESIDUE GOL A 514
source : AC8

70) chain B
residue 111
type
sequence F
description BINDING SITE FOR RESIDUE GOL A 514
source : AC8

71) chain A
residue 330
type
sequence E
description BINDING SITE FOR RESIDUE GOL A 515
source : AC9

72) chain A
residue 348
type
sequence P
description BINDING SITE FOR RESIDUE GOL A 515
source : AC9

73) chain A
residue 349
type
sequence R
description BINDING SITE FOR RESIDUE GOL A 515
source : AC9

74) chain A
residue 349
type
sequence R
description BINDING SITE FOR RESIDUE GOL A 516
source : BC1

75) chain A
residue 350
type
sequence T
description BINDING SITE FOR RESIDUE GOL A 516
source : BC1

76) chain B
residue 172
type
sequence E
description BINDING SITE FOR RESIDUE GOL A 516
source : BC1

77) chain A
residue 322
type
sequence D
description BINDING SITE FOR RESIDUE GOL A 517
source : BC2

78) chain A
residue 324
type
sequence G
description BINDING SITE FOR RESIDUE GOL A 517
source : BC2

79) chain A
residue 354
type
sequence R
description BINDING SITE FOR RESIDUE GOL A 518
source : BC3

80) chain A
residue 368
type
sequence D
description BINDING SITE FOR RESIDUE GOL A 518
source : BC3

81) chain A
residue 371
type
sequence K
description BINDING SITE FOR RESIDUE GOL A 518
source : BC3

82) chain A
residue 1
type
sequence A
description BINDING SITE FOR RESIDUE GOL A 519
source : BC4

83) chain A
residue 191
type
sequence E
description BINDING SITE FOR RESIDUE GOL A 519
source : BC4

84) chain A
residue 400
type
sequence H
description BINDING SITE FOR RESIDUE GOL A 519
source : BC4

85) chain A
residue 401
type
sequence D
description BINDING SITE FOR RESIDUE GOL A 519
source : BC4

86) chain A
residue 402
type
sequence G
description BINDING SITE FOR RESIDUE GOL A 519
source : BC4

87) chain B
residue 291
type
sequence R
description BINDING SITE FOR RESIDUE SF4 B 501
source : BC5

88) chain B
residue 292
type
sequence M
description BINDING SITE FOR RESIDUE SF4 B 501
source : BC5

89) chain B
residue 328
type
sequence F
description BINDING SITE FOR RESIDUE SF4 B 501
source : BC5

90) chain B
residue 329
type
sequence C
description BINDING SITE FOR RESIDUE SF4 B 501
source : BC5

91) chain B
residue 332
type
sequence C
description BINDING SITE FOR RESIDUE SF4 B 501
source : BC5

92) chain B
residue 333
type
sequence K
description BINDING SITE FOR RESIDUE SF4 B 501
source : BC5

93) chain B
residue 335
type
sequence C
description BINDING SITE FOR RESIDUE SF4 B 501
source : BC5

94) chain B
residue 390
type
sequence C
description BINDING SITE FOR RESIDUE SF4 B 501
source : BC5

95) chain B
residue 392
type
sequence F
description BINDING SITE FOR RESIDUE SF4 B 501
source : BC5

96) chain B
residue 339
type
sequence C
description BINDING SITE FOR RESIDUE SF4 B 502
source : BC6

97) chain B
residue 340
type
sequence P
description BINDING SITE FOR RESIDUE SF4 B 502
source : BC6

98) chain B
residue 341
type
sequence S
description BINDING SITE FOR RESIDUE SF4 B 502
source : BC6

99) chain B
residue 372
type
sequence C
description BINDING SITE FOR RESIDUE SF4 B 502
source : BC6

100) chain B
residue 383
type
sequence C
description BINDING SITE FOR RESIDUE SF4 B 502
source : BC6

101) chain B
residue 384
type
sequence G
description BINDING SITE FOR RESIDUE SF4 B 502
source : BC6

102) chain B
residue 386
type
sequence C
description BINDING SITE FOR RESIDUE SF4 B 502
source : BC6

103) chain B
residue 31
type
sequence Y
description BINDING SITE FOR RESIDUE BVQ B 503
source : BC7

104) chain B
residue 36
type
sequence T
description BINDING SITE FOR RESIDUE BVQ B 503
source : BC7

105) chain B
residue 37
type
sequence A
description BINDING SITE FOR RESIDUE BVQ B 503
source : BC7

106) chain B
residue 38
type
sequence F
description BINDING SITE FOR RESIDUE BVQ B 503
source : BC7

107) chain B
residue 170
type
sequence Y
description BINDING SITE FOR RESIDUE BVQ B 503
source : BC7

108) chain B
residue 242
type
sequence T
description BINDING SITE FOR RESIDUE BVQ B 503
source : BC7

109) chain B
residue 246
type
sequence Y
description BINDING SITE FOR RESIDUE BVQ B 503
source : BC7

110) chain B
residue 249
type
sequence M
description BINDING SITE FOR RESIDUE BVQ B 503
source : BC7

111) chain B
residue 272
type
sequence N
description BINDING SITE FOR RESIDUE BVQ B 503
source : BC7

112) chain B
residue 275
type
sequence G
description BINDING SITE FOR RESIDUE BVQ B 503
source : BC7

113) chain B
residue 276
type
sequence Q
description BINDING SITE FOR RESIDUE BVQ B 503
source : BC7

114) chain B
residue 277
type
sequence S
description BINDING SITE FOR RESIDUE BVQ B 503
source : BC7

115) chain B
residue 278
type
sequence V
description BINDING SITE FOR RESIDUE BVQ B 503
source : BC7

116) chain B
residue 289
type
sequence A
description BINDING SITE FOR RESIDUE BVQ B 503
source : BC7

117) chain B
residue 292
type
sequence M
description BINDING SITE FOR RESIDUE BVQ B 503
source : BC7

118) chain B
residue 293
type
sequence G
description BINDING SITE FOR RESIDUE BVQ B 503
source : BC7

119) chain B
residue 294
type
sequence A
description BINDING SITE FOR RESIDUE BVQ B 503
source : BC7

120) chain B
residue 295
type
sequence C
description BINDING SITE FOR RESIDUE BVQ B 503
source : BC7

121) chain B
residue 302
type
sequence P
description BINDING SITE FOR RESIDUE BVQ B 503
source : BC7

122) chain B
residue 304
type
sequence V
description BINDING SITE FOR RESIDUE BVQ B 503
source : BC7

123) chain B
residue 305
type
sequence R
description BINDING SITE FOR RESIDUE BVQ B 503
source : BC7

124) chain B
residue 306
type
sequence L
description BINDING SITE FOR RESIDUE BVQ B 503
source : BC7

125) chain B
residue 308
type
sequence K
description BINDING SITE FOR RESIDUE BVQ B 503
source : BC7

126) chain B
residue 357
type
sequence H
description BINDING SITE FOR RESIDUE BVQ B 503
source : BC7

127) chain B
residue 358
type
sequence N
description BINDING SITE FOR RESIDUE BVQ B 503
source : BC7

128) chain B
residue 359
type
sequence Q
description BINDING SITE FOR RESIDUE BVQ B 503
source : BC7

129) chain B
residue 362
type
sequence K
description BINDING SITE FOR RESIDUE BVQ B 503
source : BC7

130) chain B
residue 364
type
sequence Q
description BINDING SITE FOR RESIDUE BVQ B 503
source : BC7

131) chain B
residue 369
type
sequence Y
description BINDING SITE FOR RESIDUE BVQ B 503
source : BC7

132) chain B
residue 372
type
sequence C
description BINDING SITE FOR RESIDUE BVQ B 503
source : BC7

133) chain B
residue 376
type
sequence W
description BINDING SITE FOR RESIDUE BVQ B 503
source : BC7

134) chain B
residue 382
type
sequence Y
description BINDING SITE FOR RESIDUE BVQ B 503
source : BC7

135) chain B
residue 102
type
sequence Y
description BINDING SITE FOR RESIDUE CB0 B 505
source : BC8

136) chain B
residue 246
type
sequence Y
description BINDING SITE FOR RESIDUE CB0 B 505
source : BC8

137) chain B
residue 55
type
sequence P
description BINDING SITE FOR RESIDUE BEN B 511
source : BC9

138) chain B
residue 57
type
sequence F
description BINDING SITE FOR RESIDUE BEN B 511
source : BC9

139) chain B
residue 186
type
sequence L
description BINDING SITE FOR RESIDUE BEN B 511
source : BC9

140) chain B
residue 187
type
sequence H
description BINDING SITE FOR RESIDUE BEN B 511
source : BC9

141) chain B
residue 38
type
sequence F
description BINDING SITE FOR RESIDUE GOL B 513
source : CC1

142) chain B
residue 56
type
sequence W
description BINDING SITE FOR RESIDUE GOL B 513
source : CC1

143) chain B
residue 101
type
sequence N
description BINDING SITE FOR RESIDUE GOL B 513
source : CC1

144) chain B
residue 186
type
sequence L
description BINDING SITE FOR RESIDUE GOL B 513
source : CC1

145) chain B
residue 189
type
sequence E
description BINDING SITE FOR RESIDUE GOL B 513
source : CC1

146) chain A
residue 111
type
sequence F
description BINDING SITE FOR RESIDUE GOL B 514
source : CC2

147) chain B
residue 110
type
sequence F
description BINDING SITE FOR RESIDUE GOL B 514
source : CC2

148) chain B
residue 113
type
sequence L
description BINDING SITE FOR RESIDUE GOL B 514
source : CC2

149) chain B
residue 119
type
sequence M
description BINDING SITE FOR RESIDUE GOL B 514
source : CC2

150) chain B
residue 330
type
sequence E
description BINDING SITE FOR RESIDUE GOL B 515
source : CC3

151) chain B
residue 348
type
sequence P
description BINDING SITE FOR RESIDUE GOL B 515
source : CC3

152) chain B
residue 349
type
sequence R
description BINDING SITE FOR RESIDUE GOL B 515
source : CC3

153) chain A
residue 329-340
type prosite
sequence CETCKKCARECP
description 4FE4S_FER_1 4Fe-4S ferredoxin-type iron-sulfur binding region signature. CeTCKkCArECP
source prosite : PS00198


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