eF-site ID 4y67-AB
PDB Code 4y67
Chain A, B

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Title Structure of Plasmodium falciparum DXR in complex with a beta-substituted fosmidomycin analogue, RC176, and manganese
Classification OXIDOREDUCTASE
Compound 1-deoxy-D-xylulose 5-phosphate reductoisomerase, apicoplast
Source Plasmodium falciparum (isolate 3D7) (DXR_PLAF7)
Sequence A:  PINVAIFGSTGSIGTNALNIIRECNKIENVFNVKALYVNK
SVNELYEQAREFLPEYLCIHDKSVYEELKELVKNIKDYKP
IILCGDEGMKEICSSNSIDKIVIGIDSFQGLYSTMYAIMN
NKIVALANKESIVSAGFFLKKLLNIHKNAKIIPVDSEHSA
IFQCLDNNKVLKTKCLQDNFSKINNINKIFLCSSGGPFQN
LTMDELKNVTSENALKHPKWKMGKKITIDSATMMNKGLEV
IETHFLFDVDYNDIEVIVHKECIIHSCVEFIDKSVISQMY
YPDMQIPILYSLTWPDRIKTNLKPLDLAQVSTLTFHKPSL
EHFPCIKLAYQAGIKGNFYPTVLNASNEIANNLFLNNKIK
YFDISSIISQVLESFNSQKVSENSEDLMKQILQIHSWAKD
KATDIYNKHN
B:  PINVAIFGSTGSIGTNALNIIRECNKIENVFNVKALYVNK
SVNELYEQAREFLPEYLCIHDKSVYEELKELVKNIKDYKP
IILCGDEGMKEICSSNSIDKIVIGIDSFQGLYSTMYAIMN
NKIVALANKESIVSAGFFLKKLLNIHKNAKIIPVDSEHSA
IFQCLDNNKVLKTKCLQDNFSKINNINKIFLCSSGGPFQN
LTMDELKNVTSENALKHPKWKMGKKITIDSATMMNKGLEV
IETHFLFDVDYNDIEVIVHKECIIHSCVEFIDKSVISQMY
YPDMQIPILYSLTWPDRIKTNLKPLDLAQVSTLTFHKPSL
EHFPCIKLAYQAGIKGNFYPTVLNASNEIANNLFLNNKIK
YFDISSIISQVLESFNSQKVSENSEDLMKQILQIHSWAKD
KATDIYNKHN
Description


Functional site

1) chain A
residue 205
type
sequence K
description binding site for residue RC5 A 501
source : AC1

2) chain A
residue 231
type
sequence D
description binding site for residue RC5 A 501
source : AC1

3) chain A
residue 232
type
sequence S
description binding site for residue RC5 A 501
source : AC1

4) chain A
residue 233
type
sequence E
description binding site for residue RC5 A 501
source : AC1

5) chain A
residue 269
type
sequence S
description binding site for residue RC5 A 501
source : AC1

6) chain A
residue 270
type
sequence S
description binding site for residue RC5 A 501
source : AC1

7) chain A
residue 296
type
sequence W
description binding site for residue RC5 A 501
source : AC1

8) chain A
residue 306
type
sequence S
description binding site for residue RC5 A 501
source : AC1

9) chain A
residue 311
type
sequence N
description binding site for residue RC5 A 501
source : AC1

10) chain A
residue 312
type
sequence K
description binding site for residue RC5 A 501
source : AC1

11) chain A
residue 315
type
sequence E
description binding site for residue RC5 A 501
source : AC1

12) chain A
residue 341
type
sequence H
description binding site for residue RC5 A 501
source : AC1

13) chain A
residue 359
type
sequence D
description binding site for residue RC5 A 501
source : AC1

14) chain A
residue 205
type
sequence K
description binding site for residue MN A 502
source : AC2

15) chain A
residue 231
type
sequence D
description binding site for residue MN A 502
source : AC2

16) chain A
residue 233
type
sequence E
description binding site for residue MN A 502
source : AC2

17) chain A
residue 315
type
sequence E
description binding site for residue MN A 502
source : AC2

18) chain B
residue 205
type
sequence K
description binding site for residue RC5 B 501
source : AC3

19) chain B
residue 231
type
sequence D
description binding site for residue RC5 B 501
source : AC3

20) chain B
residue 232
type
sequence S
description binding site for residue RC5 B 501
source : AC3

21) chain B
residue 233
type
sequence E
description binding site for residue RC5 B 501
source : AC3

22) chain B
residue 269
type
sequence S
description binding site for residue RC5 B 501
source : AC3

23) chain B
residue 270
type
sequence S
description binding site for residue RC5 B 501
source : AC3

24) chain B
residue 296
type
sequence W
description binding site for residue RC5 B 501
source : AC3

25) chain B
residue 306
type
sequence S
description binding site for residue RC5 B 501
source : AC3

26) chain B
residue 311
type
sequence N
description binding site for residue RC5 B 501
source : AC3

27) chain B
residue 312
type
sequence K
description binding site for residue RC5 B 501
source : AC3

28) chain B
residue 315
type
sequence E
description binding site for residue RC5 B 501
source : AC3

29) chain B
residue 341
type
sequence H
description binding site for residue RC5 B 501
source : AC3

30) chain B
residue 359
type
sequence D
description binding site for residue RC5 B 501
source : AC3

31) chain B
residue 205
type
sequence K
description binding site for residue MN B 502
source : AC4

32) chain B
residue 231
type
sequence D
description binding site for residue MN B 502
source : AC4

33) chain B
residue 233
type
sequence E
description binding site for residue MN B 502
source : AC4

34) chain B
residue 315
type
sequence E
description binding site for residue MN B 502
source : AC4

35) chain B
residue 86
type BINDING
sequence T
description BINDING => ECO:0000250|UniProtKB:O96693
source Swiss-Prot : SWS_FT_FI1

36) chain B
residue 115
type BINDING
sequence N
description BINDING => ECO:0000250|UniProtKB:O96693
source Swiss-Prot : SWS_FT_FI1

37) chain B
residue 206
type BINDING
sequence E
description BINDING => ECO:0000250|UniProtKB:O96693
source Swiss-Prot : SWS_FT_FI1

38) chain B
residue 299
type BINDING
sequence G
description BINDING => ECO:0000250|UniProtKB:O96693
source Swiss-Prot : SWS_FT_FI1

39) chain A
residue 86
type BINDING
sequence T
description BINDING => ECO:0000250|UniProtKB:O96693
source Swiss-Prot : SWS_FT_FI1

40) chain A
residue 115
type BINDING
sequence N
description BINDING => ECO:0000250|UniProtKB:O96693
source Swiss-Prot : SWS_FT_FI1

41) chain A
residue 206
type BINDING
sequence E
description BINDING => ECO:0000250|UniProtKB:O96693
source Swiss-Prot : SWS_FT_FI1

42) chain A
residue 299
type BINDING
sequence G
description BINDING => ECO:0000250|UniProtKB:O96693
source Swiss-Prot : SWS_FT_FI1

43) chain B
residue 270
type BINDING
sequence S
description BINDING => ECO:0000250|UniProtKB:P45568
source Swiss-Prot : SWS_FT_FI2

44) chain B
residue 293
type BINDING
sequence H
description BINDING => ECO:0000250|UniProtKB:P45568
source Swiss-Prot : SWS_FT_FI2

45) chain B
residue 306
type BINDING
sequence S
description BINDING => ECO:0000250|UniProtKB:P45568
source Swiss-Prot : SWS_FT_FI2

46) chain B
residue 311
type BINDING
sequence N
description BINDING => ECO:0000250|UniProtKB:P45568
source Swiss-Prot : SWS_FT_FI2

47) chain B
residue 312
type BINDING
sequence K
description BINDING => ECO:0000250|UniProtKB:P45568
source Swiss-Prot : SWS_FT_FI2

48) chain A
residue 312
type BINDING
sequence K
description BINDING => ECO:0000250|UniProtKB:P45568
source Swiss-Prot : SWS_FT_FI2

49) chain B
residue 205
type BINDING
sequence K
description BINDING => ECO:0000250|UniProtKB:P45568
source Swiss-Prot : SWS_FT_FI2

50) chain B
residue 232
type BINDING
sequence S
description BINDING => ECO:0000250|UniProtKB:P45568
source Swiss-Prot : SWS_FT_FI2

51) chain A
residue 205
type BINDING
sequence K
description BINDING => ECO:0000250|UniProtKB:P45568
source Swiss-Prot : SWS_FT_FI2

52) chain A
residue 232
type BINDING
sequence S
description BINDING => ECO:0000250|UniProtKB:P45568
source Swiss-Prot : SWS_FT_FI2

53) chain A
residue 270
type BINDING
sequence S
description BINDING => ECO:0000250|UniProtKB:P45568
source Swiss-Prot : SWS_FT_FI2

54) chain A
residue 293
type BINDING
sequence H
description BINDING => ECO:0000250|UniProtKB:P45568
source Swiss-Prot : SWS_FT_FI2

55) chain A
residue 306
type BINDING
sequence S
description BINDING => ECO:0000250|UniProtKB:P45568
source Swiss-Prot : SWS_FT_FI2

56) chain A
residue 311
type BINDING
sequence N
description BINDING => ECO:0000250|UniProtKB:P45568
source Swiss-Prot : SWS_FT_FI2

57) chain B
residue 233
type BINDING
sequence E
description BINDING => ECO:0000269|PubMed:25781377, ECO:0000269|PubMed:27487410, ECO:0007744|PDB:4Y67, ECO:0007744|PDB:4Y6P, ECO:0007744|PDB:4Y6R, ECO:0007744|PDB:4Y6S, ECO:0007744|PDB:5JAZ, ECO:0007744|PDB:5JBI, ECO:0007744|PDB:5JC1, ECO:0007744|PDB:5JMP, ECO:0007744|PDB:5JMW, ECO:0007744|PDB:5JNL, ECO:0007744|PDB:5JO0
source Swiss-Prot : SWS_FT_FI3

58) chain B
residue 315
type BINDING
sequence E
description BINDING => ECO:0000269|PubMed:25781377, ECO:0000269|PubMed:27487410, ECO:0007744|PDB:4Y67, ECO:0007744|PDB:4Y6P, ECO:0007744|PDB:4Y6R, ECO:0007744|PDB:4Y6S, ECO:0007744|PDB:5JAZ, ECO:0007744|PDB:5JBI, ECO:0007744|PDB:5JC1, ECO:0007744|PDB:5JMP, ECO:0007744|PDB:5JMW, ECO:0007744|PDB:5JNL, ECO:0007744|PDB:5JO0
source Swiss-Prot : SWS_FT_FI3

59) chain A
residue 231
type BINDING
sequence D
description BINDING => ECO:0000269|PubMed:25781377, ECO:0000269|PubMed:27487410, ECO:0007744|PDB:4Y67, ECO:0007744|PDB:4Y6P, ECO:0007744|PDB:4Y6R, ECO:0007744|PDB:4Y6S, ECO:0007744|PDB:5JAZ, ECO:0007744|PDB:5JBI, ECO:0007744|PDB:5JC1, ECO:0007744|PDB:5JMP, ECO:0007744|PDB:5JMW, ECO:0007744|PDB:5JNL, ECO:0007744|PDB:5JO0
source Swiss-Prot : SWS_FT_FI3

60) chain A
residue 233
type BINDING
sequence E
description BINDING => ECO:0000269|PubMed:25781377, ECO:0000269|PubMed:27487410, ECO:0007744|PDB:4Y67, ECO:0007744|PDB:4Y6P, ECO:0007744|PDB:4Y6R, ECO:0007744|PDB:4Y6S, ECO:0007744|PDB:5JAZ, ECO:0007744|PDB:5JBI, ECO:0007744|PDB:5JC1, ECO:0007744|PDB:5JMP, ECO:0007744|PDB:5JMW, ECO:0007744|PDB:5JNL, ECO:0007744|PDB:5JO0
source Swiss-Prot : SWS_FT_FI3

61) chain A
residue 315
type BINDING
sequence E
description BINDING => ECO:0000269|PubMed:25781377, ECO:0000269|PubMed:27487410, ECO:0007744|PDB:4Y67, ECO:0007744|PDB:4Y6P, ECO:0007744|PDB:4Y6R, ECO:0007744|PDB:4Y6S, ECO:0007744|PDB:5JAZ, ECO:0007744|PDB:5JBI, ECO:0007744|PDB:5JC1, ECO:0007744|PDB:5JMP, ECO:0007744|PDB:5JMW, ECO:0007744|PDB:5JNL, ECO:0007744|PDB:5JO0
source Swiss-Prot : SWS_FT_FI3

62) chain B
residue 231
type BINDING
sequence D
description BINDING => ECO:0000269|PubMed:25781377, ECO:0000269|PubMed:27487410, ECO:0007744|PDB:4Y67, ECO:0007744|PDB:4Y6P, ECO:0007744|PDB:4Y6R, ECO:0007744|PDB:4Y6S, ECO:0007744|PDB:5JAZ, ECO:0007744|PDB:5JBI, ECO:0007744|PDB:5JC1, ECO:0007744|PDB:5JMP, ECO:0007744|PDB:5JMW, ECO:0007744|PDB:5JNL, ECO:0007744|PDB:5JO0
source Swiss-Prot : SWS_FT_FI3


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