eF-site ID 4rnq-A
PDB Code 4rnq
Chain A

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Title Crystal structure of tobacco 5-epi-aristolochene synthase (TEAS) with anilinogeranyl diphosphate (AGPP) and geraniline
Classification LYASE
Compound 5-epi-aristolochene synthase
Source Nicotiana tabacum (Common tobacco) (5EAS_TOBAC)
Sequence A:  IVRPVADFSPSLWGDQFLSFSIKNQVAEKYAKEIEALKEQ
TRNMLLATGMKLADTLNLIDTIERLGISYHFEKEIDDILD
QIYNQNSNCNDLCTSALQFRLLRQHGFNISPEIFSKFQDE
NGKFKESLASDVLGLLNLYEASHVRTHADDILEDALAFST
IHLESAAPHLKSPLREQVTHALEQCLHKGVPRVETRFFIS
SIYDKEQSKNNVLLRFAKLDFNLLQMLHKQELAQVSRWWK
DLDFVTTLPYARDRVVECYFWALGVYFEPQYSQARVMLVK
TISMISIVDDTFDAYGTVKELEAYTDAIQRWDINEIDRLP
DYMKISYKAILDLYKDYEKELSSAGRSHIVCHAIERMKEV
VRNYNVESTWFIEGYTPPVSEYLSNALATTTYYYLATTSY
LGMKSATEQDFEWLSKNPKILEASVIICRVIDDTATYEVE
KSRGQIATGIECCMRDYGISTKEAMAKFQNMAETAWKDIN
EGLLRPTPVSTEFLTPILNLARIVEVTYIHNLDGYTHPEK
VLKPHIINLLVDSIKI
Description


Functional site

1) chain A
residue 301
type
sequence D
description BINDING SITE FOR RESIDUE MG A 601
source : AC1

2) chain A
residue 305
type
sequence D
description BINDING SITE FOR RESIDUE MG A 601
source : AC1

3) chain A
residue 379
type
sequence E
description BINDING SITE FOR RESIDUE MG A 601
source : AC1

4) chain A
residue 301
type
sequence D
description BINDING SITE FOR RESIDUE MG A 602
source : AC2

5) chain A
residue 305
type
sequence D
description BINDING SITE FOR RESIDUE MG A 602
source : AC2

6) chain A
residue 444
type
sequence D
description BINDING SITE FOR RESIDUE MG A 603
source : AC3

7) chain A
residue 445
type
sequence D
description BINDING SITE FOR RESIDUE MG A 603
source : AC3

8) chain A
residue 448
type
sequence T
description BINDING SITE FOR RESIDUE MG A 603
source : AC3

9) chain A
residue 452
type
sequence E
description BINDING SITE FOR RESIDUE MG A 603
source : AC3

10) chain A
residue 264
type
sequence R
description BINDING SITE FOR RESIDUE A4S A 604
source : AC4

11) chain A
residue 273
type
sequence W
description BINDING SITE FOR RESIDUE A4S A 604
source : AC4

12) chain A
residue 294
type
sequence I
description BINDING SITE FOR RESIDUE A4S A 604
source : AC4

13) chain A
residue 297
type
sequence I
description BINDING SITE FOR RESIDUE A4S A 604
source : AC4

14) chain A
residue 298
type
sequence S
description BINDING SITE FOR RESIDUE A4S A 604
source : AC4

15) chain A
residue 305
type
sequence D
description BINDING SITE FOR RESIDUE A4S A 604
source : AC4

16) chain A
residue 402
type
sequence T
description BINDING SITE FOR RESIDUE A4S A 604
source : AC4

17) chain A
residue 403
type
sequence T
description BINDING SITE FOR RESIDUE A4S A 604
source : AC4

18) chain A
residue 407
type
sequence L
description BINDING SITE FOR RESIDUE A4S A 604
source : AC4

19) chain A
residue 440
type
sequence C
description BINDING SITE FOR RESIDUE A4S A 604
source : AC4

20) chain A
residue 441
type
sequence R
description BINDING SITE FOR RESIDUE A4S A 604
source : AC4

21) chain A
residue 444
type
sequence D
description BINDING SITE FOR RESIDUE A4S A 604
source : AC4

22) chain A
residue 452
type
sequence E
description BINDING SITE FOR RESIDUE A4S A 604
source : AC4

23) chain A
residue 520
type
sequence Y
description BINDING SITE FOR RESIDUE A4S A 604
source : AC4

24) chain A
residue 527
type
sequence Y
description BINDING SITE FOR RESIDUE A4S A 604
source : AC4

25) chain A
residue 264
type
sequence R
description BINDING SITE FOR RESIDUE 1GA A 605
source : AC5

26) chain A
residue 273
type
sequence W
description BINDING SITE FOR RESIDUE 1GA A 605
source : AC5

27) chain A
residue 402
type
sequence T
description BINDING SITE FOR RESIDUE 1GA A 605
source : AC5

28) chain A
residue 403
type
sequence T
description BINDING SITE FOR RESIDUE 1GA A 605
source : AC5

29) chain A
residue 407
type
sequence L
description BINDING SITE FOR RESIDUE 1GA A 605
source : AC5

30) chain A
residue 520
type
sequence Y
description BINDING SITE FOR RESIDUE 1GA A 605
source : AC5

31) chain A
residue 527
type
sequence Y
description BINDING SITE FOR RESIDUE 1GA A 605
source : AC5

32) chain A
residue 264
type
sequence R
description BINDING SITE FOR RESIDUE DPO A 606
source : AC6

33) chain A
residue 301
type
sequence D
description BINDING SITE FOR RESIDUE DPO A 606
source : AC6

34) chain A
residue 305
type
sequence D
description BINDING SITE FOR RESIDUE DPO A 606
source : AC6

35) chain A
residue 441
type
sequence R
description BINDING SITE FOR RESIDUE DPO A 606
source : AC6

36) chain A
residue 444
type
sequence D
description BINDING SITE FOR RESIDUE DPO A 606
source : AC6

37) chain A
residue 452
type
sequence E
description BINDING SITE FOR RESIDUE DPO A 606
source : AC6

38) chain A
residue 154
type
sequence S
description BINDING SITE FOR RESIDUE ACT A 607
source : AC7

39) chain A
residue 155
type
sequence H
description BINDING SITE FOR RESIDUE ACT A 607
source : AC7

40) chain A
residue 157
type
sequence R
description BINDING SITE FOR RESIDUE ACT A 607
source : AC7

41) chain A
residue 200
type
sequence K
description BINDING SITE FOR RESIDUE ACT A 607
source : AC7

42) chain A
residue 485
type
sequence E
description BINDING SITE FOR RESIDUE ACT A 607
source : AC7

43) chain A
residue 488
type
sequence W
description BINDING SITE FOR RESIDUE ACT A 607
source : AC7

44) chain A
residue 492
type
sequence N
description BINDING SITE FOR RESIDUE ACT A 607
source : AC7

45) chain A
residue 264
type catalytic
sequence R
description 265
source MCSA : MCSA1

46) chain A
residue 527
type catalytic
sequence Y
description 265
source MCSA : MCSA1

47) chain A
residue 273
type catalytic
sequence W
description 265
source MCSA : MCSA1

48) chain A
residue 401
type catalytic
sequence T
description 265
source MCSA : MCSA1

49) chain A
residue 402
type catalytic
sequence T
description 265
source MCSA : MCSA1

50) chain A
residue 403
type catalytic
sequence T
description 265
source MCSA : MCSA1

51) chain A
residue 441
type catalytic
sequence R
description 265
source MCSA : MCSA1

52) chain A
residue 444
type catalytic
sequence D
description 265
source MCSA : MCSA1

53) chain A
residue 520
type catalytic
sequence Y
description 265
source MCSA : MCSA1

54) chain A
residue 525
type catalytic
sequence D
description 265
source MCSA : MCSA1

55) chain A
residue 264
type BINDING
sequence R
description BINDING => ECO:0000269|PubMed:20175559, ECO:0000269|PubMed:27328867, ECO:0000305|PubMed:25897591, ECO:0000305|PubMed:9295271, ECO:0000305|Ref.13, ECO:0000305|Ref.9, ECO:0007744|PDB:3LZ9, ECO:0007744|PDB:3M00, ECO:0007744|PDB:3M01, ECO:0007744|PDB:3M02, ECO:0007744|PDB:4DI5, ECO:0007744|PDB:4RNQ, ECO:0007744|PDB:5EAT, ECO:0007744|PDB:5EAU, ECO:0007744|PDB:5IK0, ECO:0007744|PDB:5IK6, ECO:0007744|PDB:5IK9, ECO:0007744|PDB:5IKA, ECO:0007744|PDB:5IKH, ECO:0007744|PDB:5IL8, ECO:0007744|PDB:5ILD, ECO:0007744|PDB:5ILY
source Swiss-Prot : SWS_FT_FI1

56) chain A
residue 301
type BINDING
sequence D
description BINDING => ECO:0000269|PubMed:20175559, ECO:0000269|PubMed:25897591, ECO:0000269|PubMed:26378620, ECO:0000269|PubMed:27328867, ECO:0000269|PubMed:9295271, ECO:0007744|PDB:3LZ9, ECO:0007744|PDB:3M00, ECO:0007744|PDB:3M01, ECO:0007744|PDB:3M02, ECO:0007744|PDB:4RNQ, ECO:0007744|PDB:5DHI, ECO:0007744|PDB:5EAT, ECO:0007744|PDB:5IK0, ECO:0007744|PDB:5IK9, ECO:0007744|PDB:5IKA
source Swiss-Prot : SWS_FT_FI2

57) chain A
residue 305
type BINDING
sequence D
description BINDING => ECO:0000269|PubMed:20175559, ECO:0000269|PubMed:25897591, ECO:0000269|PubMed:26378620, ECO:0000269|PubMed:27328867, ECO:0000269|PubMed:9295271, ECO:0007744|PDB:1HXA, ECO:0007744|PDB:3LZ9, ECO:0007744|PDB:3M00, ECO:0007744|PDB:3M01, ECO:0007744|PDB:3M02, ECO:0007744|PDB:4RNQ, ECO:0007744|PDB:5DHI, ECO:0007744|PDB:5DHK, ECO:0007744|PDB:5EAT, ECO:0007744|PDB:5IK0, ECO:0007744|PDB:5IK9, ECO:0007744|PDB:5IKA
source Swiss-Prot : SWS_FT_FI3

58) chain A
residue 441
type BINDING
sequence R
description BINDING => ECO:0000269|PubMed:27328867, ECO:0000305|PubMed:20175559, ECO:0000305|PubMed:25897591, ECO:0000305|PubMed:27328867, ECO:0000305|Ref.13, ECO:0000305|Ref.7, ECO:0000305|Ref.9, ECO:0007744|PDB:1HXA, ECO:0007744|PDB:1HXC, ECO:0007744|PDB:3M02, ECO:0007744|PDB:4DI5, ECO:0007744|PDB:4RNQ, ECO:0007744|PDB:5IK0, ECO:0007744|PDB:5IK6, ECO:0007744|PDB:5IKA, ECO:0007744|PDB:5IL3, ECO:0007744|PDB:5ILH, ECO:0007744|PDB:5ILI, ECO:0007744|PDB:5ILY
source Swiss-Prot : SWS_FT_FI4

59) chain A
residue 444
type BINDING
sequence D
description BINDING => ECO:0000269|PubMed:20175559, ECO:0000269|PubMed:25897591, ECO:0000269|PubMed:26378620, ECO:0000269|PubMed:27328867, ECO:0000269|PubMed:9295271, ECO:0000269|Ref.13, ECO:0000269|Ref.7, ECO:0000269|Ref.9, ECO:0007744|PDB:1HX9, ECO:0007744|PDB:1HXA, ECO:0007744|PDB:3LZ9, ECO:0007744|PDB:3M00, ECO:0007744|PDB:3M01, ECO:0007744|PDB:3M02, ECO:0007744|PDB:4DI5, ECO:0007744|PDB:4RNQ, ECO:0007744|PDB:5DHI, ECO:0007744|PDB:5EAS, ECO:0007744|PDB:5EAT, ECO:0007744|PDB:5EAU, ECO:0007744|PDB:5IK0, ECO:0007744|PDB:5IK6, ECO:0007744|PDB:5IK9, ECO:0007744|PDB:5IKA, ECO:0007744|PDB:5IKH, ECO:0007744|PDB:5IL3, ECO:0007744|PDB:5ILD, ECO:0007744|PDB:5ILI, ECO:0007744|PDB:5ILY
source Swiss-Prot : SWS_FT_FI5

60) chain A
residue 452
type BINDING
sequence E
description BINDING => ECO:0000269|PubMed:20175559, ECO:0000269|PubMed:25897591, ECO:0000269|PubMed:26378620, ECO:0000269|PubMed:27328867, ECO:0000269|PubMed:9295271, ECO:0000269|Ref.13, ECO:0000269|Ref.7, ECO:0000269|Ref.9, ECO:0007744|PDB:1HX9, ECO:0007744|PDB:1HXA, ECO:0007744|PDB:3LZ9, ECO:0007744|PDB:3M00, ECO:0007744|PDB:3M01, ECO:0007744|PDB:3M02, ECO:0007744|PDB:4DI5, ECO:0007744|PDB:4RNQ, ECO:0007744|PDB:5DHI, ECO:0007744|PDB:5EAS, ECO:0007744|PDB:5EAT, ECO:0007744|PDB:5EAU, ECO:0007744|PDB:5IK0, ECO:0007744|PDB:5IK6, ECO:0007744|PDB:5IK9, ECO:0007744|PDB:5IKA, ECO:0007744|PDB:5IKH, ECO:0007744|PDB:5IL3, ECO:0007744|PDB:5ILD, ECO:0007744|PDB:5ILI, ECO:0007744|PDB:5ILY
source Swiss-Prot : SWS_FT_FI5

61) chain A
residue 445
type BINDING
sequence D
description BINDING => ECO:0000269|PubMed:20175559, ECO:0000269|PubMed:25897591, ECO:0000269|PubMed:27328867, ECO:0000269|PubMed:9295271, ECO:0000269|Ref.13, ECO:0000269|Ref.9, ECO:0007744|PDB:3M02, ECO:0007744|PDB:4DI5, ECO:0007744|PDB:4RNQ, ECO:0007744|PDB:5EAS, ECO:0007744|PDB:5EAT, ECO:0007744|PDB:5IKH, ECO:0007744|PDB:5ILD
source Swiss-Prot : SWS_FT_FI6

62) chain A
residue 448
type BINDING
sequence T
description BINDING => ECO:0000269|PubMed:20175559, ECO:0000269|PubMed:25897591, ECO:0000269|PubMed:26378620, ECO:0000269|PubMed:27328867, ECO:0000269|PubMed:9295271, ECO:0000269|Ref.13, ECO:0000269|Ref.7, ECO:0000269|Ref.9, ECO:0007744|PDB:1HX9, ECO:0007744|PDB:1HXA, ECO:0007744|PDB:3LZ9, ECO:0007744|PDB:3M00, ECO:0007744|PDB:3M01, ECO:0007744|PDB:3M02, ECO:0007744|PDB:4DI5, ECO:0007744|PDB:4RNQ, ECO:0007744|PDB:5DHI, ECO:0007744|PDB:5EAS, ECO:0007744|PDB:5EAT, ECO:0007744|PDB:5EAU, ECO:0007744|PDB:5IK9, ECO:0007744|PDB:5IKA, ECO:0007744|PDB:5IKH, ECO:0007744|PDB:5ILD, ECO:0007744|PDB:5ILI, ECO:0007744|PDB:5ILY
source Swiss-Prot : SWS_FT_FI7


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