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

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Title Structure of the 3-ketoacyl-CoA thiolase FadA5 from M. tuberculosis with an partially acetylated cysteine in complex with acetyl-CoA and CoA
Classification TRANSFERASE
Compound Acetyl-CoA acetyltransferase FadA5
Source Mycobacterium tuberculosis (strain ATCC 25618 / H37Rv) (I6XHI4_MYCTU)
Sequence A:  MGYPVIVEATRSPIGKRNGWLSGLHATELLGAVQKAVVDK
AGIQSGLHAGDVEQVIGGCVTQFGEQSNNISRVAWLTAGL
PEHVGATTVDCQCGSGQQANHLIAGLIAAGAIDVGIACGI
EAMSRVGLGANAGPDRSLIRAQSWDIDLPNQFEAAERIAK
RRGITREDVDVFGLESQRRAQRAWAEGRFDREISPIQAPV
LDEQNQPTGERRLVFRDQGLRETTMAGLGELKPVLEGGIH
TAGTSSQISDGAAAVLWMDEAVARAHGLTPRARIVAQALV
GAEPYYHLDGPVQSTAKVLEKAGMKIGDIDIVEINEAFAS
VVLSWARVHEPDMDRVNVNGGAIALGHPVGCTGSRLITTA
LHELERTDQSLALITMCAGGALSTGTIIERI
B:  SMGYPVIVEATRSPIGKRNGWLSGLHATELLGAVQKAVVD
KAGIQSGLHAGDVEQVIGGCVTQFGEQSNNISRVAWLTAG
LPEHVGATTVDCQCGSGQQANHLIAGLIAAGAIDVGIACG
IEAMSRVGLGANAGPDRSLIRAQSWDIDLPNQFEAAERIA
KRRGITREDVDVFGLESQRRAQRAWAEGRFDREISPIQAP
VLDEQNQPTGERRLVFRDQGLRETTMAGLGELKPVLEGGI
HTAGTSSQISDGAAAVLWMDEAVARAHGLTPRARIVAQAL
VGAEPYYHLDGPVQSTAKVLEKAGMKIGDIDIVEINEAFA
SVVLSWARVHEPDMDRVNVNGGAIALGHPVGCTGSRLITT
ALHELERTDQSLALITMCAGGALSTGTIIERI
Description


Functional site

1) chain B
residue 162
type
sequence R
description binding site for residue SO4 A 403
source : AC1

2) chain A
residue 28
type
sequence E
description binding site for residue SO4 A 404
source : AC2

3) chain A
residue 196
type
sequence I
description binding site for residue SO4 A 404
source : AC2

4) chain A
residue 197
type
sequence Q
description binding site for residue SO4 A 404
source : AC2

5) chain A
residue 17
type
sequence R
description binding site for residue DIO A 405
source : AC3

6) chain A
residue 18
type
sequence N
description binding site for residue DIO A 405
source : AC3

7) chain A
residue 264
type
sequence R
description binding site for residue DIO A 406
source : AC4

8) chain B
residue 292
type
sequence V
description binding site for residue DIO A 406
source : AC4

9) chain A
residue 20
type
sequence W
description binding site for residue GOL A 407
source : AC5

10) chain A
residue 212
type
sequence R
description binding site for residue GOL A 407
source : AC5

11) chain A
residue 46
type
sequence G
description binding site for residue GOL A 408
source : AC6

12) chain A
residue 81
type
sequence P
description binding site for residue GOL A 408
source : AC6

13) chain A
residue 82
type
sequence E
description binding site for residue GOL A 408
source : AC6

14) chain A
residue 83
type
sequence H
description binding site for residue GOL A 408
source : AC6

15) chain A
residue 161
type
sequence R
description binding site for residue GOL A 409
source : AC7

16) chain A
residue 162
type
sequence R
description binding site for residue GOL A 409
source : AC7

17) chain A
residue 163
type
sequence G
description binding site for residue GOL A 409
source : AC7

18) chain A
residue 333
type
sequence M
description binding site for residue GOL A 410
source : AC8

19) chain B
residue 16
type
sequence K
description binding site for residue COA B 401
source : AC9

20) chain B
residue 17
type
sequence R
description binding site for residue COA B 401
source : AC9

21) chain B
residue 93
type
sequence C
description binding site for residue COA B 401
source : AC9

22) chain B
residue 128
type
sequence L
description binding site for residue COA B 401
source : AC9

23) chain B
residue 151
type
sequence Q
description binding site for residue COA B 401
source : AC9

24) chain B
residue 152
type
sequence F
description binding site for residue COA B 401
source : AC9

25) chain B
residue 221
type
sequence R
description binding site for residue COA B 401
source : AC9

26) chain B
residue 222
type
sequence E
description binding site for residue COA B 401
source : AC9

27) chain B
residue 223
type
sequence T
description binding site for residue COA B 401
source : AC9

28) chain B
residue 231
type
sequence L
description binding site for residue COA B 401
source : AC9

29) chain B
residue 242
type
sequence A
description binding site for residue COA B 401
source : AC9

30) chain B
residue 243
type
sequence G
description binding site for residue COA B 401
source : AC9

31) chain B
residue 245
type
sequence S
description binding site for residue COA B 401
source : AC9

32) chain B
residue 246
type
sequence S
description binding site for residue COA B 401
source : AC9

33) chain B
residue 248
type
sequence I
description binding site for residue COA B 401
source : AC9

34) chain B
residue 317
type
sequence A
description binding site for residue COA B 401
source : AC9

35) chain B
residue 318
type
sequence F
description binding site for residue COA B 401
source : AC9

36) chain B
residue 347
type
sequence H
description binding site for residue COA B 401
source : AC9

37) chain B
residue 349
type
sequence V
description binding site for residue COA B 401
source : AC9

38) chain B
residue 275
type
sequence V
description binding site for residue SO4 B 402
source : AD1

39) chain B
residue 302
type
sequence A
description binding site for residue SO4 B 402
source : AD1

40) chain B
residue 48
type
sequence H
description binding site for residue DIO B 403
source : AD2

41) chain B
residue 49
type
sequence A
description binding site for residue DIO B 403
source : AD2

42) chain B
residue 50
type
sequence G
description binding site for residue DIO B 403
source : AD2

43) chain B
residue 81
type
sequence P
description binding site for residue DIO B 403
source : AD2

44) chain A
residue 190
type
sequence D
description binding site for residue DIO B 404
source : AD3

45) chain B
residue 213
type
sequence L
description binding site for residue DIO B 404
source : AD3

46) chain B
residue 214
type
sequence V
description binding site for residue DIO B 404
source : AD3

47) chain B
residue 215
type
sequence F
description binding site for residue DIO B 404
source : AD3

48) chain B
residue 216
type
sequence R
description binding site for residue DIO B 404
source : AD3

49) chain B
residue 225
type
sequence M
description binding site for residue DIO B 405
source : AD4

50) chain A
residue 20
type
sequence W
description binding site for residue DIO B 406
source : AD5

51) chain A
residue 215
type
sequence F
description binding site for residue DIO B 406
source : AD5

52) chain A
residue 216
type
sequence R
description binding site for residue DIO B 406
source : AD5

53) chain B
residue 20
type
sequence W
description binding site for residue DIO B 407
source : AD6

54) chain B
residue 212
type
sequence R
description binding site for residue DIO B 407
source : AD6

55) chain B
residue 48
type
sequence H
description binding site for residue GOL B 408
source : AD7

56) chain B
residue 81
type
sequence P
description binding site for residue GOL B 408
source : AD7

57) chain B
residue 82
type
sequence E
description binding site for residue GOL B 408
source : AD7

58) chain B
residue 83
type
sequence H
description binding site for residue GOL B 408
source : AD7

59) chain B
residue 128
type
sequence L
description binding site for residue GOL B 409
source : AD8

60) chain B
residue 136
type
sequence R
description binding site for residue GOL B 409
source : AD8

61) chain B
residue 326
type
sequence A
description binding site for residue GOL B 410
source : AD9

62) chain B
residue 330
type
sequence E
description binding site for residue GOL B 410
source : AD9

63) chain B
residue 331
type
sequence P
description binding site for residue GOL B 410
source : AD9

64) chain B
residue 333
type
sequence M
description binding site for residue GOL B 410
source : AD9

65) chain B
residue 323
type
sequence L
description binding site for residue GOL B 411
source : AE1

66) chain B
residue 333
type
sequence M
description binding site for residue GOL B 411
source : AE1

67) chain B
residue 178
type
sequence R
description binding site for residue GOL B 412
source : AE2

68) chain B
residue 182
type
sequence R
description binding site for residue GOL B 412
source : AE2

69) chain B
residue 175
type
sequence E
description binding site for residue GOL B 413
source : AE3

70) chain B
residue 178
type
sequence R
description binding site for residue GOL B 413
source : AE3

71) chain B
residue 179
type
sequence R
description binding site for residue GOL B 413
source : AE3

72) chain B
residue 182
type
sequence R
description binding site for residue GOL B 413
source : AE3

73) chain B
residue 334
type
sequence D
description binding site for residue GOL B 413
source : AE3

74) chain A
residue 186
type
sequence E
description binding site for residue GOL B 415
source : AE5

75) chain B
residue 220
type
sequence L
description binding site for residue GOL B 415
source : AE5

76) chain A
residue 337-353
type prosite
sequence NVNGGAIALGHPVGCTG
description THIOLASE_2 Thiolases signature 2. NvnGGaIAlGHPvGcTG
source prosite : PS00737

77) chain A
residue 93
type ACT_SITE
sequence C
description Acyl-thioester intermediate => ECO:0000305|PubMed:25482540, ECO:0007744|PDB:4UBV
source Swiss-Prot : SWS_FT_FI1

78) chain B
residue 93
type ACT_SITE
sequence C
description Acyl-thioester intermediate => ECO:0000305|PubMed:25482540, ECO:0007744|PDB:4UBV
source Swiss-Prot : SWS_FT_FI1

79) chain A
residue 347
type ACT_SITE
sequence H
description Proton acceptor => ECO:0000305|PubMed:25482540, ECO:0007744|PDB:4UBV
source Swiss-Prot : SWS_FT_FI2

80) chain B
residue 347
type ACT_SITE
sequence H
description Proton acceptor => ECO:0000305|PubMed:25482540, ECO:0007744|PDB:4UBV
source Swiss-Prot : SWS_FT_FI2

81) chain A
residue 377
type ACT_SITE
sequence C
description Proton acceptor => ECO:0000305|PubMed:25482540
source Swiss-Prot : SWS_FT_FI3

82) chain B
residue 377
type ACT_SITE
sequence C
description Proton acceptor => ECO:0000305|PubMed:25482540
source Swiss-Prot : SWS_FT_FI3

83) chain A
residue 151
type BINDING
sequence Q
description BINDING => ECO:0000269|PubMed:25482540, ECO:0007744|PDB:4UBT
source Swiss-Prot : SWS_FT_FI4

84) chain A
residue 379
type BINDING
sequence G
description BINDING => ECO:0000269|PubMed:25482540, ECO:0007744|PDB:4UBT
source Swiss-Prot : SWS_FT_FI4

85) chain B
residue 151
type BINDING
sequence Q
description BINDING => ECO:0000269|PubMed:25482540, ECO:0007744|PDB:4UBT
source Swiss-Prot : SWS_FT_FI4

86) chain B
residue 379
type BINDING
sequence G
description BINDING => ECO:0000269|PubMed:25482540, ECO:0007744|PDB:4UBT
source Swiss-Prot : SWS_FT_FI4

87) chain A
residue 221
type BINDING
sequence R
description BINDING => ECO:0000269|PubMed:25482540, ECO:0007744|PDB:4UBT, ECO:0007744|PDB:4UBV
source Swiss-Prot : SWS_FT_FI5

88) chain B
residue 221
type BINDING
sequence R
description BINDING => ECO:0000269|PubMed:25482540, ECO:0007744|PDB:4UBT, ECO:0007744|PDB:4UBV
source Swiss-Prot : SWS_FT_FI5

89) chain A
residue 246
type BINDING
sequence S
description BINDING => ECO:0000269|PubMed:25482540, ECO:0007744|PDB:4UBT, ECO:0007744|PDB:4UBU, ECO:0007744|PDB:4UBV
source Swiss-Prot : SWS_FT_FI6

90) chain B
residue 246
type BINDING
sequence S
description BINDING => ECO:0000269|PubMed:25482540, ECO:0007744|PDB:4UBT, ECO:0007744|PDB:4UBU, ECO:0007744|PDB:4UBV
source Swiss-Prot : SWS_FT_FI6


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