eF-site ID 3pvt-ABC
PDB Code 3pvt
Chain A, B, C

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Title The Phenylacetyl-CoA monooxygenase PaaAC subcomplex with 3-hydroxybutanoyl-CoA
Classification OXIDOREDUCTASE
Compound Phenylacetic acid degradation protein paaA
Source Escherichia coli (strain K12) (PAAC_ECOLI)
Sequence A:  MRSTQEERFEQRIAQETAIEPQDWMPDAYRKTLIRQIGQH
AHSEIVGMLPEGNWITRAPTLRRKAILLAKVQDEAGHGLY
LYSAAETLGCAREDIYQKMLDGRMKYSSIFNYPTLSWADI
GVIGWLVDGAAIVNQVALCRTSYGPYARAMVKICKEESFH
QRQGFEACMALAQGSEAQKQMLQDAINRFWWPALMMFGPN
DDNSPNSARSLTWKIKRFTNDELRQRFVDNTVPQVEMLGM
TVPDPDLHFDTESGHYRFGEIDWQEFNEVINGRGICNQER
LDAKRKAWEEGTWVREAALAHAQK
B:  SNQLTAYTLRLGDNCLVLSQRLGEWCGHAPELEIDLALAN
IGLDLLGQARNFLSYAAELAGEGDEDTLAFTRDERQFSNL
LLVEQPNGNFADTIARQYFIDAWHVALFTRLMESRDPQLA
AISAKAIKEARYHLRFSRGWLERLGNGTDVSGQKMQQAIN
KLWRFTAELFDADEIDIALSEEGIAVDPRTLRAAWEAEVF
AGINEATLNVPQEQAYRTGGKKGLHTEHLGPMLAEMQ
C:  SNQLTAYTLRLGDNCLVLSQRLGEWCGHAPELEIDLALAN
IGLDLLGQARNFLSYAAELAGEGDEDTLAFTRDERQFSNL
LLVEQPNGNFADTIARQYFIDAWHVALFTRLMESRDPQLA
AISAKAIKEARYHLRFSRGWLERLGNGTDVSGQKMQQAIN
KLWRFTAELFDADEIDIALSEEGIAVDPRTLRAAWEAEVF
AGINEATLNVPQEQAYRTGGKKGLHTEHLGPMLAEMQYLQ
RVLPGQQW
Description (1)  Phenylacetic acid degradation protein paaA (E.C.1.14.13.-), Phenylacetic acid degradation protein paaC (E.C.1.14.13.-)


Functional site

1) chain A
residue 33
type
ligand
sequence R
description BINDING SITE FOR RESIDUE 3HC A 310
source : AC1

2) chain A
residue 34
type
ligand
sequence Q
description BINDING SITE FOR RESIDUE 3HC A 310
source : AC1

3) chain A
residue 37
type
ligand
sequence Q
description BINDING SITE FOR RESIDUE 3HC A 310
source : AC1

4) chain A
residue 38
type
ligand
sequence H
description BINDING SITE FOR RESIDUE 3HC A 310
source : AC1

5) chain A
residue 41
type
ligand
sequence S
description BINDING SITE FOR RESIDUE 3HC A 310
source : AC1

6) chain A
residue 42
type
ligand
sequence E
description BINDING SITE FOR RESIDUE 3HC A 310
source : AC1

7) chain A
residue 103
type
ligand
sequence K
description BINDING SITE FOR RESIDUE 3HC A 310
source : AC1

8) chain A
residue 104
type
ligand
sequence Y
description BINDING SITE FOR RESIDUE 3HC A 310
source : AC1

9) chain A
residue 105
type
ligand
sequence S
description BINDING SITE FOR RESIDUE 3HC A 310
source : AC1

10) chain A
residue 106
type
ligand
sequence S
description BINDING SITE FOR RESIDUE 3HC A 310
source : AC1

11) chain A
residue 129
type
ligand
sequence A
description BINDING SITE FOR RESIDUE 3HC A 310
source : AC1

12) chain A
residue 132
type
ligand
sequence N
description BINDING SITE FOR RESIDUE 3HC A 310
source : AC1

13) chain A
residue 133
type
ligand
sequence Q
description BINDING SITE FOR RESIDUE 3HC A 310
source : AC1

14) chain A
residue 144
type
ligand
sequence Y
description BINDING SITE FOR RESIDUE 3HC A 310
source : AC1

15) chain A
residue 193
type
ligand
sequence M
description BINDING SITE FOR RESIDUE 3HC A 310
source : AC1

16) chain A
residue 194
type
ligand
sequence M
description BINDING SITE FOR RESIDUE 3HC A 310
source : AC1

17) chain A
residue 195
type
ligand
sequence F
description BINDING SITE FOR RESIDUE 3HC A 310
source : AC1

18) chain A
residue 196
type
ligand
sequence G
description BINDING SITE FOR RESIDUE 3HC A 310
source : AC1

19) chain A
residue 197
type
ligand
sequence P
description BINDING SITE FOR RESIDUE 3HC A 310
source : AC1

20) chain A
residue 202
type
ligand
sequence S
description BINDING SITE FOR RESIDUE 3HC A 310
source : AC1

21) chain A
residue 203
type
ligand
sequence P
description BINDING SITE FOR RESIDUE 3HC A 310
source : AC1

22) chain A
residue 204
type
ligand
sequence N
description BINDING SITE FOR RESIDUE 3HC A 310
source : AC1

23) chain A
residue 214
type
ligand
sequence K
description BINDING SITE FOR RESIDUE 3HC A 310
source : AC1

24) chain A
residue 218
type
ligand
sequence N
description BINDING SITE FOR RESIDUE 3HC A 310
source : AC1

25) chain A
residue 264
type
ligand
sequence F
description BINDING SITE FOR RESIDUE 3HC A 310
source : AC1

26) chain A
residue 268
type
ligand
sequence I
description BINDING SITE FOR RESIDUE 3HC A 310
source : AC1

27) chain A
residue 198
type
ligand
sequence N
description BINDING SITE FOR RESIDUE GOL A 311
source : AC2

28) chain A
residue 219
type
ligand
sequence D
description BINDING SITE FOR RESIDUE GOL A 311
source : AC2

29) chain A
residue 222
type
ligand
sequence R
description BINDING SITE FOR RESIDUE GOL A 311
source : AC2

30) chain A
residue 256
type
ligand
sequence F
description BINDING SITE FOR RESIDUE GOL A 311
source : AC2

31) chain A
residue 258
type
ligand
sequence E
description BINDING SITE FOR RESIDUE GOL A 311
source : AC2

32) chain A
residue 259
type
ligand
sequence I
description BINDING SITE FOR RESIDUE GOL A 311
source : AC2

33) chain A
residue 261
type
ligand
sequence W
description BINDING SITE FOR RESIDUE GOL A 311
source : AC2

34) chain B
residue 7
type
ligand
sequence Y
description BINDING SITE FOR RESIDUE GOL B 249
source : AC3

35) chain B
residue 10
type
ligand
sequence R
description BINDING SITE FOR RESIDUE GOL B 249
source : AC3

36) chain B
residue 11
type
ligand
sequence L
description BINDING SITE FOR RESIDUE GOL B 249
source : AC3

37) chain B
residue 14
type
ligand
sequence N
description BINDING SITE FOR RESIDUE GOL B 249
source : AC3

38) chain B
residue 103
type
ligand
sequence W
description BINDING SITE FOR RESIDUE GOL B 249
source : AC3

39) chain B
residue 176
type
ligand
sequence D
description BINDING SITE FOR RESIDUE GOL B 249
source : AC3

40) chain B
residue 188
type
ligand
sequence P
description BINDING SITE FOR RESIDUE GOL B 249
source : AC3

41) chain C
residue 71
type
ligand
sequence T
description BINDING SITE FOR RESIDUE GOL C 249
source : AC4

42) chain C
residue 240
type
ligand
sequence Q
description BINDING SITE FOR RESIDUE GOL C 249
source : AC4

43) chain C
residue 244
type
ligand
sequence P
description BINDING SITE FOR RESIDUE GOL C 249
source : AC4

44) chain C
residue 245
type
ligand
sequence G
description BINDING SITE FOR RESIDUE GOL C 249
source : AC4

45) chain C
residue 7
type
ligand
sequence Y
description BINDING SITE FOR RESIDUE GOL C 250
source : AC5

46) chain C
residue 10
type
ligand
sequence R
description BINDING SITE FOR RESIDUE GOL C 250
source : AC5

47) chain C
residue 11
type
ligand
sequence L
description BINDING SITE FOR RESIDUE GOL C 250
source : AC5

48) chain C
residue 14
type
ligand
sequence N
description BINDING SITE FOR RESIDUE GOL C 250
source : AC5

49) chain C
residue 103
type
ligand
sequence W
description BINDING SITE FOR RESIDUE GOL C 250
source : AC5

50) chain C
residue 176
type
ligand
sequence D
description BINDING SITE FOR RESIDUE GOL C 250
source : AC5

51) chain C
residue 188
type
ligand
sequence P
description BINDING SITE FOR RESIDUE GOL C 250
source : AC5

52) chain C
residue 221
type
ligand
sequence K
description BINDING SITE FOR RESIDUE GOL C 250
source : AC5

53) chain C
residue 24
type
ligand
sequence E
description BINDING SITE FOR RESIDUE GOL C 251
source : AC6

54) chain C
residue 25
type
ligand
sequence W
description BINDING SITE FOR RESIDUE GOL C 251
source : AC6

55) chain C
residue 87
type
ligand
sequence N
description BINDING SITE FOR RESIDUE GOL C 251
source : AC6

56) chain C
residue 88
type
ligand
sequence G
description BINDING SITE FOR RESIDUE GOL C 251
source : AC6

57) chain A
residue 33-34
type binding
ligand 3HC: 3-HYDROXYBUTANOYL-COENZYME A
sequence RQ
description 3-HYDROXYBUTANOYL-COENZYME A binding site
source pdb_hetatom : 3HC_3pvt_A_310

58) chain A
residue 37-38
type binding
ligand 3HC: 3-HYDROXYBUTANOYL-COENZYME A
sequence QH
description 3-HYDROXYBUTANOYL-COENZYME A binding site
source pdb_hetatom : 3HC_3pvt_A_310

59) chain A
residue 41-42
type binding
ligand 3HC: 3-HYDROXYBUTANOYL-COENZYME A
sequence SE
description 3-HYDROXYBUTANOYL-COENZYME A binding site
source pdb_hetatom : 3HC_3pvt_A_310

60) chain A
residue 103-106
type binding
ligand 3HC: 3-HYDROXYBUTANOYL-COENZYME A
sequence KYSS
description 3-HYDROXYBUTANOYL-COENZYME A binding site
source pdb_hetatom : 3HC_3pvt_A_310

61) chain A
residue 108
type binding
ligand 3HC: 3-HYDROXYBUTANOYL-COENZYME A
sequence F
description 3-HYDROXYBUTANOYL-COENZYME A binding site
source pdb_hetatom : 3HC_3pvt_A_310

62) chain A
residue 128-129
type binding
ligand 3HC: 3-HYDROXYBUTANOYL-COENZYME A
sequence AA
description 3-HYDROXYBUTANOYL-COENZYME A binding site
source pdb_hetatom : 3HC_3pvt_A_310

63) chain A
residue 132-133
type binding
ligand 3HC: 3-HYDROXYBUTANOYL-COENZYME A
sequence NQ
description 3-HYDROXYBUTANOYL-COENZYME A binding site
source pdb_hetatom : 3HC_3pvt_A_310

64) chain A
residue 136
type binding
ligand 3HC: 3-HYDROXYBUTANOYL-COENZYME A
sequence L
description 3-HYDROXYBUTANOYL-COENZYME A binding site
source pdb_hetatom : 3HC_3pvt_A_310

65) chain A
residue 144
type binding
ligand 3HC: 3-HYDROXYBUTANOYL-COENZYME A
sequence Y
description 3-HYDROXYBUTANOYL-COENZYME A binding site
source pdb_hetatom : 3HC_3pvt_A_310

66) chain A
residue 155
type binding
ligand 3HC: 3-HYDROXYBUTANOYL-COENZYME A
sequence E
description 3-HYDROXYBUTANOYL-COENZYME A binding site
source pdb_hetatom : 3HC_3pvt_A_310

67) chain A
residue 193-197
type binding
ligand 3HC: 3-HYDROXYBUTANOYL-COENZYME A
sequence MMFGP
description 3-HYDROXYBUTANOYL-COENZYME A binding site
source pdb_hetatom : 3HC_3pvt_A_310

68) chain A
residue 202-205
type binding
ligand 3HC: 3-HYDROXYBUTANOYL-COENZYME A
sequence SPNS
description 3-HYDROXYBUTANOYL-COENZYME A binding site
source pdb_hetatom : 3HC_3pvt_A_310

69) chain A
residue 208
type binding
ligand 3HC: 3-HYDROXYBUTANOYL-COENZYME A
sequence S
description 3-HYDROXYBUTANOYL-COENZYME A binding site
source pdb_hetatom : 3HC_3pvt_A_310

70) chain A
residue 214
type binding
ligand 3HC: 3-HYDROXYBUTANOYL-COENZYME A
sequence K
description 3-HYDROXYBUTANOYL-COENZYME A binding site
source pdb_hetatom : 3HC_3pvt_A_310

71) chain A
residue 218
type binding
ligand 3HC: 3-HYDROXYBUTANOYL-COENZYME A
sequence N
description 3-HYDROXYBUTANOYL-COENZYME A binding site
source pdb_hetatom : 3HC_3pvt_A_310

72) chain A
residue 264
type binding
ligand 3HC: 3-HYDROXYBUTANOYL-COENZYME A
sequence F
description 3-HYDROXYBUTANOYL-COENZYME A binding site
source pdb_hetatom : 3HC_3pvt_A_310

73) chain A
residue 268
type binding
ligand 3HC: 3-HYDROXYBUTANOYL-COENZYME A
sequence I
description 3-HYDROXYBUTANOYL-COENZYME A binding site
source pdb_hetatom : 3HC_3pvt_A_310

74) chain A
residue 198
type binding
ligand GOL: GLYCEROL
sequence N
description GLYCEROL binding site
source pdb_hetatom : GOL_3pvt_A_311

75) chain A
residue 219
type binding
ligand GOL: GLYCEROL
sequence D
description GLYCEROL binding site
source pdb_hetatom : GOL_3pvt_A_311

76) chain A
residue 222
type binding
ligand GOL: GLYCEROL
sequence R
description GLYCEROL binding site
source pdb_hetatom : GOL_3pvt_A_311

77) chain A
residue 256-259
type binding
ligand GOL: GLYCEROL
sequence FGEI
description GLYCEROL binding site
source pdb_hetatom : GOL_3pvt_A_311

78) chain A
residue 261
type binding
ligand GOL: GLYCEROL
sequence W
description GLYCEROL binding site
source pdb_hetatom : GOL_3pvt_A_311

79) chain A
residue 284
type binding
ligand GOL: GLYCEROL
sequence K
description GLYCEROL binding site
source pdb_hetatom : GOL_3pvt_C_251

80) chain C
residue 24-25
type binding
ligand GOL: GLYCEROL
sequence EW
description GLYCEROL binding site
source pdb_hetatom : GOL_3pvt_C_251

81) chain C
residue 28
type binding
ligand GOL: GLYCEROL
sequence H
description GLYCEROL binding site
source pdb_hetatom : GOL_3pvt_C_251

82) chain C
residue 87-88
type binding
ligand GOL: GLYCEROL
sequence NG
description GLYCEROL binding site
source pdb_hetatom : GOL_3pvt_C_251

83) chain B
residue 7
type binding
ligand GOL: GLYCEROL
sequence Y
description GLYCEROL binding site
source pdb_hetatom : GOL_3pvt_B_249

84) chain B
residue 10-11
type binding
ligand GOL: GLYCEROL
sequence RL
description GLYCEROL binding site
source pdb_hetatom : GOL_3pvt_B_249

85) chain B
residue 14
type binding
ligand GOL: GLYCEROL
sequence N
description GLYCEROL binding site
source pdb_hetatom : GOL_3pvt_B_249

86) chain B
residue 78
type binding
ligand GOL: GLYCEROL
sequence S
description GLYCEROL binding site
source pdb_hetatom : GOL_3pvt_B_249

87) chain B
residue 80
type binding
ligand GOL: GLYCEROL
sequence L
description GLYCEROL binding site
source pdb_hetatom : GOL_3pvt_B_249

88) chain B
residue 103
type binding
ligand GOL: GLYCEROL
sequence W
description GLYCEROL binding site
source pdb_hetatom : GOL_3pvt_B_249

89) chain B
residue 168-169
type binding
ligand GOL: GLYCEROL
sequence EL
description GLYCEROL binding site
source pdb_hetatom : GOL_3pvt_B_249

90) chain B
residue 171
type binding
ligand GOL: GLYCEROL
sequence D
description GLYCEROL binding site
source pdb_hetatom : GOL_3pvt_B_249

91) chain B
residue 176
type binding
ligand GOL: GLYCEROL
sequence D
description GLYCEROL binding site
source pdb_hetatom : GOL_3pvt_B_249

92) chain B
residue 186
type binding
ligand GOL: GLYCEROL
sequence V
description GLYCEROL binding site
source pdb_hetatom : GOL_3pvt_B_249

93) chain B
residue 188
type binding
ligand GOL: GLYCEROL
sequence P
description GLYCEROL binding site
source pdb_hetatom : GOL_3pvt_B_249

94) chain B
residue 221
type binding
ligand GOL: GLYCEROL
sequence K
description GLYCEROL binding site
source pdb_hetatom : GOL_3pvt_B_249

95) chain C
residue 7
type binding
ligand GOL: GLYCEROL
sequence Y
description GLYCEROL binding site
source pdb_hetatom : GOL_3pvt_C_250

96) chain C
residue 10-11
type binding
ligand GOL: GLYCEROL
sequence RL
description GLYCEROL binding site
source pdb_hetatom : GOL_3pvt_C_250

97) chain C
residue 14
type binding
ligand GOL: GLYCEROL
sequence N
description GLYCEROL binding site
source pdb_hetatom : GOL_3pvt_C_250

98) chain C
residue 78
type binding
ligand GOL: GLYCEROL
sequence S
description GLYCEROL binding site
source pdb_hetatom : GOL_3pvt_C_250

99) chain C
residue 80
type binding
ligand GOL: GLYCEROL
sequence L
description GLYCEROL binding site
source pdb_hetatom : GOL_3pvt_C_250

100) chain C
residue 103
type binding
ligand GOL: GLYCEROL
sequence W
description GLYCEROL binding site
source pdb_hetatom : GOL_3pvt_C_250

101) chain C
residue 169
type binding
ligand GOL: GLYCEROL
sequence L
description GLYCEROL binding site
source pdb_hetatom : GOL_3pvt_C_250

102) chain C
residue 171
type binding
ligand GOL: GLYCEROL
sequence D
description GLYCEROL binding site
source pdb_hetatom : GOL_3pvt_C_250

103) chain C
residue 176
type binding
ligand GOL: GLYCEROL
sequence D
description GLYCEROL binding site
source pdb_hetatom : GOL_3pvt_C_250

104) chain C
residue 188
type binding
ligand GOL: GLYCEROL
sequence P
description GLYCEROL binding site
source pdb_hetatom : GOL_3pvt_C_250

105) chain C
residue 221
type binding
ligand GOL: GLYCEROL
sequence K
description GLYCEROL binding site
source pdb_hetatom : GOL_3pvt_C_250

106) chain C
residue 64
type binding
ligand GOL: GLYCEROL
sequence D
description GLYCEROL binding site
source pdb_hetatom : GOL_3pvt_C_249

107) chain C
residue 66-67
type binding
ligand GOL: GLYCEROL
sequence DT
description GLYCEROL binding site
source pdb_hetatom : GOL_3pvt_C_249

108) chain C
residue 71
type binding
ligand GOL: GLYCEROL
sequence T
description GLYCEROL binding site
source pdb_hetatom : GOL_3pvt_C_249

109) chain C
residue 240
type binding
ligand GOL: GLYCEROL
sequence Q
description GLYCEROL binding site
source pdb_hetatom : GOL_3pvt_C_249

110) chain C
residue 244-246
type binding
ligand GOL: GLYCEROL
sequence PGQ
description GLYCEROL binding site
source pdb_hetatom : GOL_3pvt_C_249


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