eF-site ID 3n0b-A
PDB Code 3n0b
Chain A

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Title TM0449 mutant crystals grown in loops/micromounts
Classification TRANSFERASE
Compound Thymidylate synthase thyX
Source Thermotoga maritima (strain ATCC 43589 / MSB8 / DSM 3109 / JCM 10099) (THYX_THEMA)
Sequence A:  HMKIDILDKGFVELVDVMGNDLSAVRAARVSFDMGLKDEE
RDRHLIEYLMKHGHETPFEHIVFTFHVKAPIFVARQWFRH
RIASYNELSGRYSKLSYEFYIPSPERLEGYKTTIPPERVT
EKISEIVDKAYRTYLELIESGVPREVARIVLPLNLYTRAF
ATVNARSLMNFLNLRADSHAQWEIQQYALAIARIFKEKCP
WTFEAFLKYAYKGDIL
Description


Functional site

1) chain A
residue 85
type
sequence N
description BINDING SITE FOR RESIDUE FAD D 300
source : AC1

2) chain A
residue 86
type
sequence E
description BINDING SITE FOR RESIDUE FAD D 300
source : AC1

3) chain A
residue 88
type
sequence S
description BINDING SITE FOR RESIDUE FAD D 300
source : AC1

4) chain A
residue 91
type
sequence Y
description BINDING SITE FOR RESIDUE FAD D 300
source : AC1

5) chain A
residue 86
type
sequence E
description BINDING SITE FOR RESIDUE UMP A 303
source : AC2

6) chain A
residue 87
type
sequence L
description BINDING SITE FOR RESIDUE UMP A 303
source : AC2

7) chain A
residue 88
type
sequence S
description BINDING SITE FOR RESIDUE UMP A 303
source : AC2

8) chain A
residue 89
type
sequence G
description BINDING SITE FOR RESIDUE UMP A 303
source : AC2

9) chain A
residue 90
type
sequence R
description BINDING SITE FOR RESIDUE UMP A 303
source : AC2

10) chain A
residue 147
type
sequence R
description BINDING SITE FOR RESIDUE UMP A 303
source : AC2

11) chain A
residue 30
type
sequence S
description BINDING SITE FOR RESIDUE FAD C 305
source : AC3

12) chain A
residue 55
type
sequence T
description BINDING SITE FOR RESIDUE FAD C 305
source : AC3

13) chain A
residue 58
type
sequence E
description BINDING SITE FOR RESIDUE FAD C 305
source : AC3

14) chain A
residue 81
type
sequence I
description BINDING SITE FOR RESIDUE FAD C 305
source : AC3

15) chain A
residue 163
type
sequence N
description BINDING SITE FOR RESIDUE FAD C 305
source : AC3

16) chain A
residue 165
type
sequence R
description BINDING SITE FOR RESIDUE FAD C 305
source : AC3

17) chain A
residue 78
type
sequence R
description BINDING SITE FOR RESIDUE FAD A 315
source : AC7

18) chain A
residue 79
type
sequence H
description BINDING SITE FOR RESIDUE FAD A 315
source : AC7

19) chain A
residue 80
type
sequence R
description BINDING SITE FOR RESIDUE FAD A 315
source : AC7

20) chain A
residue 81
type
sequence I
description BINDING SITE FOR RESIDUE FAD A 315
source : AC7

21) chain A
residue 169
type
sequence N
description BINDING SITE FOR RESIDUE FAD A 315
source : AC7

22) chain A
residue 173
type
sequence L
description BINDING SITE FOR RESIDUE FAD A 315
source : AC7

23) chain A
residue 174
type
sequence R
description BINDING SITE FOR RESIDUE FAD A 315
source : AC7

24) chain A
residue 178
type
sequence H
description BINDING SITE FOR RESIDUE FAD A 315
source : AC7

25) chain A
residue 74
type
sequence R
description BINDING SITE FOR RESIDUE UMP D 318
source : AC8

26) chain A
residue 75
type
sequence Q
description BINDING SITE FOR RESIDUE UMP D 318
source : AC8

27) chain A
residue 78
type
sequence R
description BINDING SITE FOR RESIDUE UMP D 318
source : AC8

28) chain A
residue 174
type
sequence R
description BINDING SITE FOR RESIDUE UMP D 318
source : AC8

29) chain A
residue 174
type ACT_SITE
sequence R
description Involved in ionization of N3 of dUMP, leading to its activation => ECO:0000269|PubMed:27214228
source Swiss-Prot : SWS_FT_FI1

30) chain A
residue 55
type BINDING
sequence T
description BINDING => ECO:0000269|PubMed:12791256, ECO:0000269|PubMed:19370033, ECO:0000269|PubMed:22477781, ECO:0000269|PubMed:23019356, ECO:0000269|PubMed:24563811, ECO:0000269|PubMed:27214228, ECO:0000269|PubMed:34315871, ECO:0007744|PDB:1O26, ECO:0007744|PDB:3G4A, ECO:0007744|PDB:3N0B, ECO:0007744|PDB:4GTD, ECO:0007744|PDB:4KAS, ECO:0007744|PDB:7NDW
source Swiss-Prot : SWS_FT_FI2

31) chain A
residue 75
type BINDING
sequence Q
description BINDING => ECO:0000269|PubMed:12791256, ECO:0000269|PubMed:19370033, ECO:0000269|PubMed:22477781, ECO:0000269|PubMed:23019356, ECO:0000269|PubMed:24563811, ECO:0000269|PubMed:27214228, ECO:0007744|PDB:1O26, ECO:0007744|PDB:3G4A, ECO:0007744|PDB:3N0B, ECO:0007744|PDB:4GT9, ECO:0007744|PDB:4KAS
source Swiss-Prot : SWS_FT_FI3

32) chain A
residue 174
type BINDING
sequence R
description BINDING => ECO:0000269|PubMed:12791256, ECO:0000269|PubMed:19370033, ECO:0000269|PubMed:22477781, ECO:0000269|PubMed:23019356, ECO:0000269|PubMed:24563811, ECO:0000269|PubMed:27214228, ECO:0007744|PDB:1O26, ECO:0007744|PDB:3G4A, ECO:0007744|PDB:3N0B, ECO:0007744|PDB:4GT9, ECO:0007744|PDB:4KAS
source Swiss-Prot : SWS_FT_FI3

33) chain A
residue 78
type BINDING
sequence R
description BINDING => ECO:0000269|PubMed:12211025, ECO:0000269|PubMed:12791256, ECO:0000269|PubMed:19370033, ECO:0000269|PubMed:22477781, ECO:0000269|PubMed:23019356, ECO:0000269|PubMed:24563811, ECO:0000269|PubMed:27214228, ECO:0000269|PubMed:34315871, ECO:0007744|PDB:1KQ4, ECO:0007744|PDB:1O26, ECO:0007744|PDB:3G4A, ECO:0007744|PDB:3N0B, ECO:0007744|PDB:4GTD, ECO:0007744|PDB:4KAS, ECO:0007744|PDB:7NDW
source Swiss-Prot : SWS_FT_FI4

34) chain A
residue 86
type BINDING
sequence E
description BINDING => ECO:0000269|PubMed:12211025, ECO:0000269|PubMed:12791256, ECO:0000269|PubMed:19370033, ECO:0000269|PubMed:22477781, ECO:0000269|PubMed:23019356, ECO:0000269|PubMed:24563811, ECO:0000269|PubMed:27214228, ECO:0000269|PubMed:34315871, ECO:0007744|PDB:1KQ4, ECO:0007744|PDB:1O26, ECO:0007744|PDB:3G4A, ECO:0007744|PDB:3N0B, ECO:0007744|PDB:4GTD, ECO:0007744|PDB:4KAS, ECO:0007744|PDB:7NDW
source Swiss-Prot : SWS_FT_FI4

35) chain A
residue 163
type BINDING
sequence N
description BINDING => ECO:0000269|PubMed:12211025, ECO:0000269|PubMed:12791256, ECO:0000269|PubMed:19370033, ECO:0000269|PubMed:22477781, ECO:0000269|PubMed:23019356, ECO:0000269|PubMed:24563811, ECO:0000269|PubMed:27214228, ECO:0000269|PubMed:34315871, ECO:0007744|PDB:1KQ4, ECO:0007744|PDB:1O26, ECO:0007744|PDB:3G4A, ECO:0007744|PDB:3N0B, ECO:0007744|PDB:4GTD, ECO:0007744|PDB:4KAS, ECO:0007744|PDB:7NDW
source Swiss-Prot : SWS_FT_FI4

36) chain A
residue 169
type BINDING
sequence N
description BINDING => ECO:0000269|PubMed:12211025, ECO:0000269|PubMed:12791256, ECO:0000269|PubMed:19370033, ECO:0000269|PubMed:22477781, ECO:0000269|PubMed:23019356, ECO:0000269|PubMed:24563811, ECO:0000269|PubMed:27214228, ECO:0000269|PubMed:34315871, ECO:0007744|PDB:1KQ4, ECO:0007744|PDB:1O26, ECO:0007744|PDB:3G4A, ECO:0007744|PDB:3N0B, ECO:0007744|PDB:4GTD, ECO:0007744|PDB:4KAS, ECO:0007744|PDB:7NDW
source Swiss-Prot : SWS_FT_FI4

37) chain A
residue 147
type BINDING
sequence R
description in other chain => ECO:0000269|PubMed:12791256, ECO:0000269|PubMed:19370033, ECO:0000269|PubMed:22477781, ECO:0000269|PubMed:23019356, ECO:0000269|PubMed:24563811, ECO:0000269|PubMed:27214228, ECO:0007744|PDB:1O26, ECO:0007744|PDB:3G4A, ECO:0007744|PDB:3N0B, ECO:0007744|PDB:4GT9, ECO:0007744|PDB:4KAS
source Swiss-Prot : SWS_FT_FI5


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