eF-site ID 2vel-AB
PDB Code 2vel
Chain A, B

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Title Structure-based enzyme engineering efforts with an inactive monomeric TIM variant: the importance of a single point mutation for generating an active site with suitable binding properties
Classification ISOMERASE
Compound GLYCOSOMAL TRIOSEPHOSPHATE ISOMERASE
Source (TPIS_TRYBB)
Sequence A:  SKPQPIAAANWKSGSPDSLSELIDLFNSTSINHDVQCVVA
STFVHLAMTKERLSHPKFVIAAQNAGNADALASLKDFGVN
WIVLGHSERRWYYGETNEIVADKVAAAVASGFMVIACIGE
TLQERESGRTAVVVLTQIAAIAKKLKKADWAKVVIAYEPV
WAIGTGKVATPQQAQEAHALIRSWVSSKIGADVAGELRIL
YGGSVNGKNARTLYQQRDVNGFLAGLKPEFVDIIKATQ
B:  SKPQPIAAANWKSGSPDSLSELIDLFNSTSINHDVQCVVA
STFVHLAMTKERLSHPKFVIAAQNAGNADALASLKDFGVN
WIVLGHSERRWYYGETNEIVADKVAAAVASGFMVIACIGE
TLQERESGRTAVVVLTQIAAIAKKLKKADWAKVVIAYEPV
WAIGTGKVATPQQAQEAHALIRSWVSSKIGADVAGELRIL
YGGSVNGKNARTLYQQRDVNGFLAGLKPEFVDIIKATQ
Description


Functional site

1) chain A
residue 34
type
sequence N
description BINDING SITE FOR RESIDUE CL A1251
source : AC1

2) chain A
residue 35
type
sequence H
description BINDING SITE FOR RESIDUE CL A1251
source : AC1

3) chain A
residue 98
type
sequence R
description BINDING SITE FOR RESIDUE CL B1251
source : AC2

4) chain A
residue 102
type
sequence Y
description BINDING SITE FOR RESIDUE CL B1251
source : AC2

5) chain B
residue 98
type
sequence R
description BINDING SITE FOR RESIDUE CL B1251
source : AC2

6) chain B
residue 102
type
sequence Y
description BINDING SITE FOR RESIDUE CL B1251
source : AC2

7) chain B
residue 11
type
sequence N
description BINDING SITE FOR RESIDUE PGA B1252
source : AC3

8) chain B
residue 13
type
sequence K
description BINDING SITE FOR RESIDUE PGA B1252
source : AC3

9) chain B
residue 95
type
sequence H
description BINDING SITE FOR RESIDUE PGA B1252
source : AC3

10) chain B
residue 167
type
sequence E
description BINDING SITE FOR RESIDUE PGA B1252
source : AC3

11) chain B
residue 171
type
sequence A
description BINDING SITE FOR RESIDUE PGA B1252
source : AC3

12) chain B
residue 172
type
sequence I
description BINDING SITE FOR RESIDUE PGA B1252
source : AC3

13) chain B
residue 173
type
sequence G
description BINDING SITE FOR RESIDUE PGA B1252
source : AC3

14) chain B
residue 213
type
sequence S
description BINDING SITE FOR RESIDUE PGA B1252
source : AC3

15) chain B
residue 232
type
sequence L
description BINDING SITE FOR RESIDUE PGA B1252
source : AC3

16) chain B
residue 233
type
sequence A
description BINDING SITE FOR RESIDUE PGA B1252
source : AC3

17) chain B
residue 234
type
sequence G
description BINDING SITE FOR RESIDUE PGA B1252
source : AC3

18) chain B
residue 239
type
sequence K
description BINDING SITE FOR RESIDUE PGA B1252
source : AC3

19) chain A
residue 11
type
sequence N
description BINDING SITE FOR RESIDUE PGA A1252
source : AC4

20) chain A
residue 13
type
sequence K
description BINDING SITE FOR RESIDUE PGA A1252
source : AC4

21) chain A
residue 95
type
sequence H
description BINDING SITE FOR RESIDUE PGA A1252
source : AC4

22) chain A
residue 167
type
sequence E
description BINDING SITE FOR RESIDUE PGA A1252
source : AC4

23) chain A
residue 171
type
sequence A
description BINDING SITE FOR RESIDUE PGA A1252
source : AC4

24) chain A
residue 172
type
sequence I
description BINDING SITE FOR RESIDUE PGA A1252
source : AC4

25) chain A
residue 173
type
sequence G
description BINDING SITE FOR RESIDUE PGA A1252
source : AC4

26) chain A
residue 212
type
sequence G
description BINDING SITE FOR RESIDUE PGA A1252
source : AC4

27) chain A
residue 213
type
sequence S
description BINDING SITE FOR RESIDUE PGA A1252
source : AC4

28) chain A
residue 234
type
sequence G
description BINDING SITE FOR RESIDUE PGA A1252
source : AC4

29) chain A
residue 165-175
type prosite
sequence AYEPVWAIGTG
description TIM_1 Triosephosphate isomerase active site. AYEPVWAIGTG
source prosite : PS00171

30) chain B
residue 95
type ACT_SITE
sequence H
description Electrophile
source Swiss-Prot : SWS_FT_FI1

31) chain A
residue 103
type ACT_SITE
sequence G
description Electrophile
source Swiss-Prot : SWS_FT_FI1

32) chain B
residue 167
type ACT_SITE
sequence E
description Proton acceptor
source Swiss-Prot : SWS_FT_FI2

33) chain A
residue 175
type ACT_SITE
sequence G
description Proton acceptor
source Swiss-Prot : SWS_FT_FI2

34) chain A
residue 11
type BINDING
sequence N
description
source Swiss-Prot : SWS_FT_FI3

35) chain A
residue 13
type BINDING
sequence K
description
source Swiss-Prot : SWS_FT_FI3

36) chain B
residue 11
type BINDING
sequence N
description
source Swiss-Prot : SWS_FT_FI3

37) chain B
residue 13
type BINDING
sequence K
description
source Swiss-Prot : SWS_FT_FI3


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