eF-site ID 3okf-AB
PDB Code 3okf
Chain A, B

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Title 2.5 Angstrom Resolution Crystal Structure of 3-Dehydroquinate Synthase (aroB) from Vibrio cholerae
Classification LYASE
Compound 3-dehydroquinate synthase
Source (C3NUY1_VIBCJ)
Sequence A:  TMERITVNLGERSYPISIGAGLFANPALLSLSAKQKVVIV
TNHTVAPLYAPAIISLLDHIGCQHALLELPDGEQYKTLET
FNTVMSFLLEHNYSRDVVVIALGGGVIGDLVGFAAACYQR
GVDFIQIPTTLLSQVDSSVGGKTAVNHPLGKNMIGAFYQP
KAVVIDTDCLTTLPAREFAAGMAEVIKYGIIYDSAFFDWL
EAQMEALYALDEQALTYAIARCCQIKAEVVAQDEKGIRAL
LNLGHTFGHAIEAHMGYGNWLHGEAVSAGTVMAAKTAQLQ
GLIDASQFERILAILKKAHLPVRTPENMTFADFMQHMMRD
KKVLAGELRLVLPTSIGTSAVVKGVPEAVIAQAIEYCRTV
B:  TMERITVNLGERSYPISIGAGLFANPALLSLSAKQKVVIV
TNHTVAPLYAPAIISLLDHIGCQHALLELPDGEQYKTLET
FNTVMSFLLEHNYSRDVVVIALGGGVIGDLVGFAAACYQR
GVDFIQIPTTLLSQVDSSVGGKTAVNHPLGKNMIGAFYQP
KAVVIDTDCLTTLPAREFAAGMAEVIKYGIIYDSAFFDWL
EAQMEALYALDEQALTYAIARCCQIKAEVVAQDEKESGIR
ALLNLGHTFGHAIEAHMGYGNWLHGEAVSAGTVMAAKTAQ
LQGLIDASQFERILAILKKAHLPVRTPENMTFADFMQHMM
RLVLPTSIGTSAVVKGVPEAVIAQAIEYCRTV
Description


Functional site

1) chain A
residue 46
type
sequence N
description BINDING SITE FOR RESIDUE NAD A 367
source : AC1

2) chain A
residue 48
type
sequence T
description BINDING SITE FOR RESIDUE NAD A 367
source : AC1

3) chain A
residue 49
type
sequence V
description BINDING SITE FOR RESIDUE NAD A 367
source : AC1

4) chain A
residue 53
type
sequence Y
description BINDING SITE FOR RESIDUE NAD A 367
source : AC1

5) chain A
residue 75
type
sequence D
description BINDING SITE FOR RESIDUE NAD A 367
source : AC1

6) chain A
residue 77
type
sequence E
description BINDING SITE FOR RESIDUE NAD A 367
source : AC1

7) chain A
residue 80
type
sequence K
description BINDING SITE FOR RESIDUE NAD A 367
source : AC1

8) chain A
residue 108
type
sequence G
description BINDING SITE FOR RESIDUE NAD A 367
source : AC1

9) chain A
residue 109
type
sequence G
description BINDING SITE FOR RESIDUE NAD A 367
source : AC1

10) chain A
residue 110
type
sequence V
description BINDING SITE FOR RESIDUE NAD A 367
source : AC1

11) chain A
residue 113
type
sequence D
description BINDING SITE FOR RESIDUE NAD A 367
source : AC1

12) chain A
residue 133
type
sequence T
description BINDING SITE FOR RESIDUE NAD A 367
source : AC1

13) chain A
residue 134
type
sequence T
description BINDING SITE FOR RESIDUE NAD A 367
source : AC1

14) chain A
residue 136
type
sequence L
description BINDING SITE FOR RESIDUE NAD A 367
source : AC1

15) chain A
residue 140
type
sequence D
description BINDING SITE FOR RESIDUE NAD A 367
source : AC1

16) chain A
residue 141
type
sequence S
description BINDING SITE FOR RESIDUE NAD A 367
source : AC1

17) chain A
residue 146
type
sequence K
description BINDING SITE FOR RESIDUE NAD A 367
source : AC1

18) chain A
residue 155
type
sequence K
description BINDING SITE FOR RESIDUE NAD A 367
source : AC1

19) chain A
residue 156
type
sequence N
description BINDING SITE FOR RESIDUE NAD A 367
source : AC1

20) chain A
residue 173
type
sequence C
description BINDING SITE FOR RESIDUE NAD A 367
source : AC1

21) chain A
residue 176
type
sequence T
description BINDING SITE FOR RESIDUE NAD A 367
source : AC1

22) chain A
residue 177
type
sequence L
description BINDING SITE FOR RESIDUE NAD A 367
source : AC1

23) chain A
residue 181
type
sequence E
description BINDING SITE FOR RESIDUE NAD A 367
source : AC1

24) chain A
residue 146
type
sequence K
description BINDING SITE FOR RESIDUE PO4 A 368
source : AC2

25) chain A
residue 156
type
sequence N
description BINDING SITE FOR RESIDUE PO4 A 368
source : AC2

26) chain B
residue 124
type
sequence R
description BINDING SITE FOR RESIDUE PO4 A 368
source : AC2

27) chain A
residue 124
type
sequence R
description BINDING SITE FOR RESIDUE PO4 A 369
source : AC3

28) chain B
residue 146
type
sequence K
description BINDING SITE FOR RESIDUE PO4 A 369
source : AC3

29) chain B
residue 156
type
sequence N
description BINDING SITE FOR RESIDUE PO4 A 369
source : AC3

30) chain A
residue 146
type
sequence K
description BINDING SITE FOR RESIDUE PO4 A 370
source : AC4

31) chain A
residue 230
type
sequence K
description BINDING SITE FOR RESIDUE PO4 A 370
source : AC4

32) chain A
residue 244
type
sequence R
description BINDING SITE FOR RESIDUE PO4 A 370
source : AC4

33) chain A
residue 247
type
sequence L
description BINDING SITE FOR RESIDUE PO4 A 370
source : AC4

34) chain A
residue 284
type
sequence Q
description BINDING SITE FOR RESIDUE CL A 371
source : AC5

35) chain A
residue 291
type
sequence A
description BINDING SITE FOR RESIDUE CL A 371
source : AC5

36) chain A
residue 255
type
sequence H
description BINDING SITE FOR RESIDUE CL A 372
source : AC6

37) chain A
residue 327
type
sequence K
description BINDING SITE FOR RESIDUE CL A 372
source : AC6

38) chain A
residue 70
type
sequence L
description BINDING SITE FOR RESIDUE CL A 373
source : AC7

39) chain A
residue 288
type
sequence L
description BINDING SITE FOR RESIDUE NA A 375
source : AC8

40) chain A
residue 288
type
sequence L
description BINDING SITE FOR RESIDUE NA A 375
source : AC8

41) chain A
residue 340
type
sequence T
description BINDING SITE FOR RESIDUE NA A 375
source : AC8

42) chain A
residue 340
type
sequence T
description BINDING SITE FOR RESIDUE NA A 375
source : AC8

43) chain B
residue 46
type
sequence N
description BINDING SITE FOR RESIDUE NAD B 367
source : AC9

44) chain B
residue 48
type
sequence T
description BINDING SITE FOR RESIDUE NAD B 367
source : AC9

45) chain B
residue 49
type
sequence V
description BINDING SITE FOR RESIDUE NAD B 367
source : AC9

46) chain B
residue 53
type
sequence Y
description BINDING SITE FOR RESIDUE NAD B 367
source : AC9

47) chain B
residue 75
type
sequence D
description BINDING SITE FOR RESIDUE NAD B 367
source : AC9

48) chain B
residue 77
type
sequence E
description BINDING SITE FOR RESIDUE NAD B 367
source : AC9

49) chain B
residue 80
type
sequence K
description BINDING SITE FOR RESIDUE NAD B 367
source : AC9

50) chain B
residue 108
type
sequence G
description BINDING SITE FOR RESIDUE NAD B 367
source : AC9

51) chain B
residue 109
type
sequence G
description BINDING SITE FOR RESIDUE NAD B 367
source : AC9

52) chain B
residue 110
type
sequence V
description BINDING SITE FOR RESIDUE NAD B 367
source : AC9

53) chain B
residue 113
type
sequence D
description BINDING SITE FOR RESIDUE NAD B 367
source : AC9

54) chain B
residue 133
type
sequence T
description BINDING SITE FOR RESIDUE NAD B 367
source : AC9

55) chain B
residue 134
type
sequence T
description BINDING SITE FOR RESIDUE NAD B 367
source : AC9

56) chain B
residue 136
type
sequence L
description BINDING SITE FOR RESIDUE NAD B 367
source : AC9

57) chain B
residue 140
type
sequence D
description BINDING SITE FOR RESIDUE NAD B 367
source : AC9

58) chain B
residue 146
type
sequence K
description BINDING SITE FOR RESIDUE NAD B 367
source : AC9

59) chain B
residue 155
type
sequence K
description BINDING SITE FOR RESIDUE NAD B 367
source : AC9

60) chain B
residue 156
type
sequence N
description BINDING SITE FOR RESIDUE NAD B 367
source : AC9

61) chain B
residue 173
type
sequence C
description BINDING SITE FOR RESIDUE NAD B 367
source : AC9

62) chain B
residue 176
type
sequence T
description BINDING SITE FOR RESIDUE NAD B 367
source : AC9

63) chain B
residue 177
type
sequence L
description BINDING SITE FOR RESIDUE NAD B 367
source : AC9

64) chain B
residue 146
type
sequence K
description BINDING SITE FOR RESIDUE PO4 B 368
source : BC1

65) chain B
residue 230
type
sequence K
description BINDING SITE FOR RESIDUE PO4 B 368
source : BC1

66) chain B
residue 244
type
sequence R
description BINDING SITE FOR RESIDUE PO4 B 368
source : BC1

67) chain B
residue 247
type
sequence L
description BINDING SITE FOR RESIDUE PO4 B 368
source : BC1

68) chain B
residue 77
type
sequence E
description BINDING SITE FOR RESIDUE CL B 369
source : BC2

69) chain B
residue 78
type
sequence Q
description BINDING SITE FOR RESIDUE CL B 369
source : BC2

70) chain A
residue 46
type BINDING
sequence N
description BINDING => ECO:0000269|Ref.2, ECO:0007744|PDB:3OKF
source Swiss-Prot : SWS_FT_FI1

71) chain B
residue 46
type BINDING
sequence N
description BINDING => ECO:0000269|Ref.2, ECO:0007744|PDB:3OKF
source Swiss-Prot : SWS_FT_FI1

72) chain A
residue 75
type BINDING
sequence D
description BINDING => ECO:0000255|HAMAP-Rule:MF_00110, ECO:0000269|Ref.2, ECO:0007744|PDB:3OKF
source Swiss-Prot : SWS_FT_FI2

73) chain B
residue 173
type BINDING
sequence C
description BINDING => ECO:0000255|HAMAP-Rule:MF_00110, ECO:0000269|Ref.2, ECO:0007744|PDB:3OKF
source Swiss-Prot : SWS_FT_FI2

74) chain A
residue 109
type BINDING
sequence G
description BINDING => ECO:0000255|HAMAP-Rule:MF_00110, ECO:0000269|Ref.2, ECO:0007744|PDB:3OKF
source Swiss-Prot : SWS_FT_FI2

75) chain A
residue 133
type BINDING
sequence T
description BINDING => ECO:0000255|HAMAP-Rule:MF_00110, ECO:0000269|Ref.2, ECO:0007744|PDB:3OKF
source Swiss-Prot : SWS_FT_FI2

76) chain A
residue 146
type BINDING
sequence K
description BINDING => ECO:0000255|HAMAP-Rule:MF_00110, ECO:0000269|Ref.2, ECO:0007744|PDB:3OKF
source Swiss-Prot : SWS_FT_FI2

77) chain A
residue 173
type BINDING
sequence C
description BINDING => ECO:0000255|HAMAP-Rule:MF_00110, ECO:0000269|Ref.2, ECO:0007744|PDB:3OKF
source Swiss-Prot : SWS_FT_FI2

78) chain B
residue 75
type BINDING
sequence D
description BINDING => ECO:0000255|HAMAP-Rule:MF_00110, ECO:0000269|Ref.2, ECO:0007744|PDB:3OKF
source Swiss-Prot : SWS_FT_FI2

79) chain B
residue 109
type BINDING
sequence G
description BINDING => ECO:0000255|HAMAP-Rule:MF_00110, ECO:0000269|Ref.2, ECO:0007744|PDB:3OKF
source Swiss-Prot : SWS_FT_FI2

80) chain B
residue 133
type BINDING
sequence T
description BINDING => ECO:0000255|HAMAP-Rule:MF_00110, ECO:0000269|Ref.2, ECO:0007744|PDB:3OKF
source Swiss-Prot : SWS_FT_FI2

81) chain B
residue 146
type BINDING
sequence K
description BINDING => ECO:0000255|HAMAP-Rule:MF_00110, ECO:0000269|Ref.2, ECO:0007744|PDB:3OKF
source Swiss-Prot : SWS_FT_FI2

82) chain A
residue 155
type BINDING
sequence K
description BINDING => ECO:0000255|HAMAP-Rule:MF_00110
source Swiss-Prot : SWS_FT_FI3

83) chain A
residue 188
type BINDING
sequence E
description BINDING => ECO:0000255|HAMAP-Rule:MF_00110
source Swiss-Prot : SWS_FT_FI3

84) chain A
residue 251
type BINDING
sequence H
description BINDING => ECO:0000255|HAMAP-Rule:MF_00110
source Swiss-Prot : SWS_FT_FI3

85) chain A
residue 268
type BINDING
sequence H
description BINDING => ECO:0000255|HAMAP-Rule:MF_00110
source Swiss-Prot : SWS_FT_FI3

86) chain B
residue 155
type BINDING
sequence K
description BINDING => ECO:0000255|HAMAP-Rule:MF_00110
source Swiss-Prot : SWS_FT_FI3

87) chain B
residue 188
type BINDING
sequence E
description BINDING => ECO:0000255|HAMAP-Rule:MF_00110
source Swiss-Prot : SWS_FT_FI3

88) chain B
residue 251
type BINDING
sequence H
description BINDING => ECO:0000255|HAMAP-Rule:MF_00110
source Swiss-Prot : SWS_FT_FI3

89) chain B
residue 268
type BINDING
sequence H
description BINDING => ECO:0000255|HAMAP-Rule:MF_00110
source Swiss-Prot : SWS_FT_FI3


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