eF-site ID 1t1r-AB
PDB Code 1t1r
Chain A, B

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Title Crystal Structure of the Reductoisomerase Complexed with a Bisphosphonate
Classification OXIDOREDUCTASE
Compound 1-deoxy-D-xylulose 5-phosphate reductoisomerase
Source Escherichia coli (strain K12) (DXR_ECOLI)
Sequence A:  GKQLTILGSTGSIGCSTLDVVRHNPEHFRVVALVAGKNVT
RMVEQCLEFSPRYAVMDDEASAKLLKTMLQQQGSRTEVLS
GQQAACDMAALEDVDQVMAAIVGAAGLLPTLAAIRAGKTI
LLANKESLVTCGRLFMDAVKQSKAQLLPVDSEHNAIFQSL
PQPIQHNLGYADLEQNGVVSILLTGSGGPFRETPLRDLAT
MTPDQACRHPNWSMGRKISVDSATMMNKGLEYIEARWLFN
ASASQMEVLIHPQSVIHSMVRYQDGSVLAQLGEPDMRTPI
AHTMAWPNRVNSGVKPLDFCKLSALTFAAPDYDRYPCLKL
AMEAFEQGQAATTALNAANEITVAAFLAQQIRFTDIAALN
LSVLEKMDMREPQCVDDVLSVDANAREVARKEVMRLAS
B:  GKQLTILGSTGSIGCSTLDVVRHNPEHFRVVALVAGKNVT
RMVEQCLEFSPRYAVMDDEASAKLLKTMLQQQGSRTEVLS
GQQAACDMAALEDVDQVMAAIVGAAGLLPTLAAIRAGKTI
LLANKESLVTCGRLFMDAVKQSKAQLLPVDSEHNAIFQSL
PQPIQHNLGYADLEQNGVVSILLTGSGGPFRETPLRDLAT
MTPDQACRHPNWSMGRKISVDSATMMNKGLEYIEARWLFN
ASASQMEVLIHPQSVIHSMVRYQDGSVLAQLGEPDMRTPI
AHTMAWPNRVNSGVKPLDFCKLSALTFAAPDYDRYPCLKL
AMEAFEQGQAATTALNAANEITVAAFLAQQIRFTDIAALN
LSVLEKMDMREPQCVDDVLSVDANAREVARKEVMRLAS
Description


Functional site

1) chain A
residue 184
type
sequence G
description BINDING SITE FOR RESIDUE SO4 A 1001
source : AC1

2) chain A
residue 185
type
sequence S
description BINDING SITE FOR RESIDUE SO4 A 1001
source : AC1

3) chain A
residue 208
type
sequence H
description BINDING SITE FOR RESIDUE SO4 A 1001
source : AC1

4) chain A
residue 221
type
sequence S
description BINDING SITE FOR RESIDUE SO4 A 1001
source : AC1

5) chain A
residue 226
type
sequence N
description BINDING SITE FOR RESIDUE SO4 A 1001
source : AC1

6) chain A
residue 227
type
sequence K
description BINDING SITE FOR RESIDUE SO4 A 1001
source : AC1

7) chain B
residue 184
type
sequence G
description BINDING SITE FOR RESIDUE SO4 B 1002
source : AC2

8) chain B
residue 185
type
sequence S
description BINDING SITE FOR RESIDUE SO4 B 1002
source : AC2

9) chain B
residue 208
type
sequence H
description BINDING SITE FOR RESIDUE SO4 B 1002
source : AC2

10) chain B
residue 221
type
sequence S
description BINDING SITE FOR RESIDUE SO4 B 1002
source : AC2

11) chain B
residue 226
type
sequence N
description BINDING SITE FOR RESIDUE SO4 B 1002
source : AC2

12) chain B
residue 227
type
sequence K
description BINDING SITE FOR RESIDUE SO4 B 1002
source : AC2

13) chain B
residue 124
type
sequence K
description BINDING SITE FOR RESIDUE IMB B 2001
source : AC3

14) chain B
residue 149
type
sequence D
description BINDING SITE FOR RESIDUE IMB B 2001
source : AC3

15) chain B
residue 150
type
sequence S
description BINDING SITE FOR RESIDUE IMB B 2001
source : AC3

16) chain B
residue 151
type
sequence E
description BINDING SITE FOR RESIDUE IMB B 2001
source : AC3

17) chain B
residue 211
type
sequence W
description BINDING SITE FOR RESIDUE IMB B 2001
source : AC3

18) chain B
residue 213
type
sequence M
description BINDING SITE FOR RESIDUE IMB B 2001
source : AC3

19) chain B
residue 226
type
sequence N
description BINDING SITE FOR RESIDUE IMB B 2001
source : AC3

20) chain B
residue 227
type
sequence K
description BINDING SITE FOR RESIDUE IMB B 2001
source : AC3

21) chain B
residue 230
type
sequence E
description BINDING SITE FOR RESIDUE IMB B 2001
source : AC3

22) chain B
residue 273
type
sequence P
description BINDING SITE FOR RESIDUE IMB B 2001
source : AC3

23) chain B
residue 275
type
sequence M
description BINDING SITE FOR RESIDUE IMB B 2001
source : AC3

24) chain A
residue 124
type
sequence K
description BINDING SITE FOR RESIDUE IMB A 3001
source : AC4

25) chain A
residue 149
type
sequence D
description BINDING SITE FOR RESIDUE IMB A 3001
source : AC4

26) chain A
residue 150
type
sequence S
description BINDING SITE FOR RESIDUE IMB A 3001
source : AC4

27) chain A
residue 151
type
sequence E
description BINDING SITE FOR RESIDUE IMB A 3001
source : AC4

28) chain A
residue 211
type
sequence W
description BINDING SITE FOR RESIDUE IMB A 3001
source : AC4

29) chain A
residue 213
type
sequence M
description BINDING SITE FOR RESIDUE IMB A 3001
source : AC4

30) chain A
residue 226
type
sequence N
description BINDING SITE FOR RESIDUE IMB A 3001
source : AC4

31) chain A
residue 230
type
sequence E
description BINDING SITE FOR RESIDUE IMB A 3001
source : AC4

32) chain A
residue 273
type
sequence P
description BINDING SITE FOR RESIDUE IMB A 3001
source : AC4

33) chain A
residue 275
type
sequence M
description BINDING SITE FOR RESIDUE IMB A 3001
source : AC4

34) chain A
residue 149
type BINDING
sequence D
description BINDING => ECO:0000269|PubMed:12621040, ECO:0007744|PDB:1ONO, ECO:0007744|PDB:1ONP
source Swiss-Prot : SWS_FT_FI2

35) chain A
residue 151
type BINDING
sequence E
description BINDING => ECO:0000269|PubMed:12621040, ECO:0007744|PDB:1ONO, ECO:0007744|PDB:1ONP
source Swiss-Prot : SWS_FT_FI2

36) chain A
residue 230
type BINDING
sequence E
description BINDING => ECO:0000269|PubMed:12621040, ECO:0007744|PDB:1ONO, ECO:0007744|PDB:1ONP
source Swiss-Prot : SWS_FT_FI2

37) chain B
residue 149
type BINDING
sequence D
description BINDING => ECO:0000269|PubMed:12621040, ECO:0007744|PDB:1ONO, ECO:0007744|PDB:1ONP
source Swiss-Prot : SWS_FT_FI2

38) chain B
residue 151
type BINDING
sequence E
description BINDING => ECO:0000269|PubMed:12621040, ECO:0007744|PDB:1ONO, ECO:0007744|PDB:1ONP
source Swiss-Prot : SWS_FT_FI2

39) chain B
residue 230
type BINDING
sequence E
description BINDING => ECO:0000269|PubMed:12621040, ECO:0007744|PDB:1ONO, ECO:0007744|PDB:1ONP
source Swiss-Prot : SWS_FT_FI2

40) chain A
residue 9
type BINDING
sequence T
description BINDING => ECO:0000269|PubMed:15567415, ECO:0007744|PDB:1Q0Q
source Swiss-Prot : SWS_FT_FI1

41) chain A
residue 125
type BINDING
sequence E
description BINDING => ECO:0000269|PubMed:15567415, ECO:0007744|PDB:1Q0Q
source Swiss-Prot : SWS_FT_FI1

42) chain A
residue 150
type BINDING
sequence S
description BINDING => ECO:0000269|PubMed:15567415, ECO:0007744|PDB:1Q0Q
source Swiss-Prot : SWS_FT_FI1

43) chain A
residue 185
type BINDING
sequence S
description BINDING => ECO:0000269|PubMed:15567415, ECO:0007744|PDB:1Q0Q
source Swiss-Prot : SWS_FT_FI1

44) chain A
residue 208
type BINDING
sequence H
description BINDING => ECO:0000269|PubMed:15567415, ECO:0007744|PDB:1Q0Q
source Swiss-Prot : SWS_FT_FI1

45) chain A
residue 214
type BINDING
sequence G
description BINDING => ECO:0000269|PubMed:15567415, ECO:0007744|PDB:1Q0Q
source Swiss-Prot : SWS_FT_FI1

46) chain A
residue 221
type BINDING
sequence S
description BINDING => ECO:0000269|PubMed:15567415, ECO:0007744|PDB:1Q0Q
source Swiss-Prot : SWS_FT_FI1

47) chain A
residue 226
type BINDING
sequence N
description BINDING => ECO:0000269|PubMed:15567415, ECO:0007744|PDB:1Q0Q
source Swiss-Prot : SWS_FT_FI1

48) chain A
residue 227
type BINDING
sequence K
description BINDING => ECO:0000269|PubMed:15567415, ECO:0007744|PDB:1Q0Q
source Swiss-Prot : SWS_FT_FI1

49) chain B
residue 9
type BINDING
sequence T
description BINDING => ECO:0000269|PubMed:15567415, ECO:0007744|PDB:1Q0Q
source Swiss-Prot : SWS_FT_FI1

50) chain B
residue 10
type BINDING
sequence G
description BINDING => ECO:0000269|PubMed:15567415, ECO:0007744|PDB:1Q0Q
source Swiss-Prot : SWS_FT_FI1

51) chain A
residue 10
type BINDING
sequence G
description BINDING => ECO:0000269|PubMed:15567415, ECO:0007744|PDB:1Q0Q
source Swiss-Prot : SWS_FT_FI1

52) chain B
residue 11
type BINDING
sequence S
description BINDING => ECO:0000269|PubMed:15567415, ECO:0007744|PDB:1Q0Q
source Swiss-Prot : SWS_FT_FI1

53) chain B
residue 12
type BINDING
sequence I
description BINDING => ECO:0000269|PubMed:15567415, ECO:0007744|PDB:1Q0Q
source Swiss-Prot : SWS_FT_FI1

54) chain B
residue 35
type BINDING
sequence G
description BINDING => ECO:0000269|PubMed:15567415, ECO:0007744|PDB:1Q0Q
source Swiss-Prot : SWS_FT_FI1

55) chain B
residue 36
type BINDING
sequence K
description BINDING => ECO:0000269|PubMed:15567415, ECO:0007744|PDB:1Q0Q
source Swiss-Prot : SWS_FT_FI1

56) chain B
residue 37
type BINDING
sequence N
description BINDING => ECO:0000269|PubMed:15567415, ECO:0007744|PDB:1Q0Q
source Swiss-Prot : SWS_FT_FI1

57) chain B
residue 123
type BINDING
sequence N
description BINDING => ECO:0000269|PubMed:15567415, ECO:0007744|PDB:1Q0Q
source Swiss-Prot : SWS_FT_FI1

58) chain B
residue 124
type BINDING
sequence K
description BINDING => ECO:0000269|PubMed:15567415, ECO:0007744|PDB:1Q0Q
source Swiss-Prot : SWS_FT_FI1

59) chain B
residue 125
type BINDING
sequence E
description BINDING => ECO:0000269|PubMed:15567415, ECO:0007744|PDB:1Q0Q
source Swiss-Prot : SWS_FT_FI1

60) chain B
residue 150
type BINDING
sequence S
description BINDING => ECO:0000269|PubMed:15567415, ECO:0007744|PDB:1Q0Q
source Swiss-Prot : SWS_FT_FI1

61) chain B
residue 185
type BINDING
sequence S
description BINDING => ECO:0000269|PubMed:15567415, ECO:0007744|PDB:1Q0Q
source Swiss-Prot : SWS_FT_FI1

62) chain A
residue 11
type BINDING
sequence S
description BINDING => ECO:0000269|PubMed:15567415, ECO:0007744|PDB:1Q0Q
source Swiss-Prot : SWS_FT_FI1

63) chain B
residue 208
type BINDING
sequence H
description BINDING => ECO:0000269|PubMed:15567415, ECO:0007744|PDB:1Q0Q
source Swiss-Prot : SWS_FT_FI1

64) chain B
residue 214
type BINDING
sequence G
description BINDING => ECO:0000269|PubMed:15567415, ECO:0007744|PDB:1Q0Q
source Swiss-Prot : SWS_FT_FI1

65) chain B
residue 221
type BINDING
sequence S
description BINDING => ECO:0000269|PubMed:15567415, ECO:0007744|PDB:1Q0Q
source Swiss-Prot : SWS_FT_FI1

66) chain B
residue 226
type BINDING
sequence N
description BINDING => ECO:0000269|PubMed:15567415, ECO:0007744|PDB:1Q0Q
source Swiss-Prot : SWS_FT_FI1

67) chain B
residue 227
type BINDING
sequence K
description BINDING => ECO:0000269|PubMed:15567415, ECO:0007744|PDB:1Q0Q
source Swiss-Prot : SWS_FT_FI1

68) chain A
residue 12
type BINDING
sequence I
description BINDING => ECO:0000269|PubMed:15567415, ECO:0007744|PDB:1Q0Q
source Swiss-Prot : SWS_FT_FI1

69) chain A
residue 35
type BINDING
sequence G
description BINDING => ECO:0000269|PubMed:15567415, ECO:0007744|PDB:1Q0Q
source Swiss-Prot : SWS_FT_FI1

70) chain A
residue 36
type BINDING
sequence K
description BINDING => ECO:0000269|PubMed:15567415, ECO:0007744|PDB:1Q0Q
source Swiss-Prot : SWS_FT_FI1

71) chain A
residue 37
type BINDING
sequence N
description BINDING => ECO:0000269|PubMed:15567415, ECO:0007744|PDB:1Q0Q
source Swiss-Prot : SWS_FT_FI1

72) chain A
residue 123
type BINDING
sequence N
description BINDING => ECO:0000269|PubMed:15567415, ECO:0007744|PDB:1Q0Q
source Swiss-Prot : SWS_FT_FI1

73) chain A
residue 124
type BINDING
sequence K
description BINDING => ECO:0000269|PubMed:15567415, ECO:0007744|PDB:1Q0Q
source Swiss-Prot : SWS_FT_FI1


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