eF-site ID 1ve6-AB
PDB Code 1ve6
Chain A, B

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Title Crystal structure of an acylpeptide hydrolase/esterase from Aeropyrum pernix K1
Classification HYDROLASE
Compound Acylamino-acid-releasing enzyme
Source Aeropyrum pernix (strain ATCC 700893 / DSM 11879 / JCM 9820 / NBRC 100138 / K1) (APEH_AERPE)
Sequence A:  EFSRIVRDVERLIAVEKYSLQGVVDGDKLLVVGFSEGSVN
AYLYDGGETVKLNREPINSVLDPHYGVGRVILVRDVSKGA
EQHALFKVNTSRPGEEQRLEAVKPMRILSGVDTGEAVVFT
GATEDRVALYALDGGGLRELARLPGFGFVSDIRGDLIAGL
GFFGGGRVSLFTSNLSSGGLRVFDSGEGSFSSASISPGMK
VTAGLETAREARLVTVDPRDGSVEDLELPSKDFSSYRPTA
ITWLGYLPDGRLAVVARREGRSAVFIDGERVEAPQGNHGR
VVLWRGKLVTSHTSLSTPPRIVSLPSGEPLLEGGLPEDLR
RSIAGSRLVWVESFDGSRVPTYVLESGRAPTPGPTVVLVH
GGPFAEDSDSWDTFAASLAAAGFHVVMPNYRGSTGYGEEW
RLKIIGDPCGGELEDVSAAARWARESGLASELYIMGYSYG
GYMTLCALTMKPGLFKAGVAGASVVDWEEMYELSDAAFRN
FIEQLTGGSREIMRSRSPINHVDRIKEPLALIHPQNDSRT
PLKPLLRLMGELLARGKTFEAHIIPDAGHAINTMEDAVKI
LLPAVFFLATQRER
B:  EFSRIVRDVERLIAVEKYSLQGVVDGDKLLVVGFSEGSVN
AYLYDGGETVKLNREPINSVLDPHYGVGRVILVRDVSKGA
EQHALFKVNTSRPGEEQRLEAVKPMRILSGVDTGEAVVFT
GATEDRVALYALDGGGLRELARLPGFGFVSDIRGDLIAGL
GFFGGGRVSLFTSNLSSGGLRVFDSGEGSFSSASISPGMK
VTAGLETAREARLVTVDPRDGSVEDLELPSKDFSSYRPTA
ITWLGYLPDGRLAVVARREGRSAVFIDGERVEAPQGNHGR
VVLWRGKLVTSHTSLSTPPRIVSLPSGEPLLEGGLPEDLR
RSIAGSRLVWVESFDGSRVPTYVLESGRAPTPGPTVVLVH
GGPFAEDSDSWDTFAASLAAAGFHVVMPNYRGSTGYGEEW
RLKIIGDPCGGELEDVSAAARWARESGLASELYIMGYSYG
GYMTLCALTMKPGLFKAGVAGASVVDWEEMYELSDAAFRN
FIEQLTGGSREIMRSRSPINHVDRIKEPLALIHPQNDSRT
PLKPLLRLMGELLARGKTFEAHIIPDAGHAINTMEDAVKI
LLPAVFFLATQRER
Description (1)  Acylamino-acid-releasing enzyme (E.C.3.4.19.1)


Functional site

1) chain A
residue 24
type
ligand
sequence K
description BINDING SITE FOR RESIDUE BOG A 936
source : AC1

2) chain A
residue 25
type
ligand
sequence Y
description BINDING SITE FOR RESIDUE BOG A 936
source : AC1

3) chain A
residue 26
type
ligand
sequence S
description BINDING SITE FOR RESIDUE BOG A 936
source : AC1

4) chain A
residue 39
type
ligand
sequence V
description BINDING SITE FOR RESIDUE BOG A 936
source : AC1

5) chain A
residue 41
type
ligand
sequence F
description BINDING SITE FOR RESIDUE BOG A 936
source : AC1

6) chain A
residue 306
type
ligand
sequence P
description BINDING SITE FOR RESIDUE BOG A 936
source : AC1

7) chain A
residue 558
type
ligand
sequence I
description BINDING SITE FOR RESIDUE BOG A 936
source : AC1

8) chain A
residue 564
type
ligand
sequence A
description BINDING SITE FOR RESIDUE BOG A 936
source : AC1

9) chain A
residue 568
type
ligand
sequence L
description BINDING SITE FOR RESIDUE BOG A 936
source : AC1

10) chain B
residue 24
type
ligand
sequence K
description BINDING SITE FOR RESIDUE BOG B 1936
source : AC2

11) chain B
residue 25
type
ligand
sequence Y
description BINDING SITE FOR RESIDUE BOG B 1936
source : AC2

12) chain B
residue 26
type
ligand
sequence S
description BINDING SITE FOR RESIDUE BOG B 1936
source : AC2

13) chain B
residue 39
type
ligand
sequence V
description BINDING SITE FOR RESIDUE BOG B 1936
source : AC2

14) chain B
residue 41
type
ligand
sequence F
description BINDING SITE FOR RESIDUE BOG B 1936
source : AC2

15) chain B
residue 46
type
ligand
sequence V
description BINDING SITE FOR RESIDUE BOG B 1936
source : AC2

16) chain B
residue 306
type
ligand
sequence P
description BINDING SITE FOR RESIDUE BOG B 1936
source : AC2

17) chain B
residue 381
type
ligand
sequence F
description BINDING SITE FOR RESIDUE BOG B 1936
source : AC2

18) chain B
residue 558
type
ligand
sequence I
description BINDING SITE FOR RESIDUE BOG B 1936
source : AC2

19) chain B
residue 564
type
ligand
sequence A
description BINDING SITE FOR RESIDUE BOG B 1936
source : AC2

20) chain B
residue 568
type
ligand
sequence L
description BINDING SITE FOR RESIDUE BOG B 1936
source : AC2

21) chain A
residue 157
type
ligand
sequence S
description BINDING SITE FOR RESIDUE GOL A 751
source : AC3

22) chain A
residue 200
type
ligand
sequence A
description BINDING SITE FOR RESIDUE GOL A 751
source : AC3

23) chain A
residue 250
type
ligand
sequence W
description BINDING SITE FOR RESIDUE GOL A 751
source : AC3

24) chain A
residue 251
type
ligand
sequence L
description BINDING SITE FOR RESIDUE GOL A 751
source : AC3

25) chain B
residue 157
type
ligand
sequence S
description BINDING SITE FOR RESIDUE GOL B 1751
source : AC4

26) chain B
residue 167
type
ligand
sequence L
description BINDING SITE FOR RESIDUE GOL B 1751
source : AC4

27) chain B
residue 199
type
ligand
sequence S
description BINDING SITE FOR RESIDUE GOL B 1751
source : AC4

28) chain B
residue 200
type
ligand
sequence A
description BINDING SITE FOR RESIDUE GOL B 1751
source : AC4

29) chain B
residue 250
type
ligand
sequence W
description BINDING SITE FOR RESIDUE GOL B 1751
source : AC4

30) chain B
residue 251
type
ligand
sequence L
description BINDING SITE FOR RESIDUE GOL B 1751
source : AC4

31) chain A
residue 445
type ACT_SITE
ligand
sequence S
description Charge relay system (By similarity).
source Swiss-Prot : SWS_FT_FI1

32) chain A
residue 524
type ACT_SITE
ligand
sequence D
description Charge relay system (By similarity).
source Swiss-Prot : SWS_FT_FI1

33) chain A
residue 556
type ACT_SITE
ligand
sequence H
description Charge relay system (By similarity).
source Swiss-Prot : SWS_FT_FI1

34) chain B
residue 445
type ACT_SITE
ligand
sequence S
description Charge relay system (By similarity).
source Swiss-Prot : SWS_FT_FI2

35) chain B
residue 524
type ACT_SITE
ligand
sequence D
description Charge relay system (By similarity).
source Swiss-Prot : SWS_FT_FI2

36) chain B
residue 556
type ACT_SITE
ligand
sequence H
description Charge relay system (By similarity).
source Swiss-Prot : SWS_FT_FI2

37) chain A
residue 20
type binding
ligand BOG: B-OCTYLGLUCOSIDE
sequence I
description B-OCTYLGLUCOSIDE binding site
source pdb_hetatom : BOG_1ve6_A_936

38) chain A
residue 24-26
type binding
ligand BOG: B-OCTYLGLUCOSIDE
sequence KYS
description B-OCTYLGLUCOSIDE binding site
source pdb_hetatom : BOG_1ve6_A_936

39) chain A
residue 39-41
type binding
ligand BOG: B-OCTYLGLUCOSIDE
sequence VGF
description B-OCTYLGLUCOSIDE binding site
source pdb_hetatom : BOG_1ve6_A_936

40) chain A
residue 46
type binding
ligand BOG: B-OCTYLGLUCOSIDE
sequence V
description B-OCTYLGLUCOSIDE binding site
source pdb_hetatom : BOG_1ve6_A_936

41) chain A
residue 306
type binding
ligand BOG: B-OCTYLGLUCOSIDE
sequence P
description B-OCTYLGLUCOSIDE binding site
source pdb_hetatom : BOG_1ve6_A_936

42) chain A
residue 380-381
type binding
ligand BOG: B-OCTYLGLUCOSIDE
sequence TF
description B-OCTYLGLUCOSIDE binding site
source pdb_hetatom : BOG_1ve6_A_936

43) chain A
residue 558-559
type binding
ligand BOG: B-OCTYLGLUCOSIDE
sequence IN
description B-OCTYLGLUCOSIDE binding site
source pdb_hetatom : BOG_1ve6_A_936

44) chain A
residue 564
type binding
ligand BOG: B-OCTYLGLUCOSIDE
sequence A
description B-OCTYLGLUCOSIDE binding site
source pdb_hetatom : BOG_1ve6_A_936

45) chain A
residue 567-568
type binding
ligand BOG: B-OCTYLGLUCOSIDE
sequence IL
description B-OCTYLGLUCOSIDE binding site
source pdb_hetatom : BOG_1ve6_A_936

46) chain A
residue 69
type binding
ligand GOL: GLYCEROL
sequence D
description GLYCEROL binding site
source pdb_hetatom : GOL_1ve6_A_751

47) chain A
residue 156-158
type binding
ligand GOL: GLYCEROL
sequence VSD
description GLYCEROL binding site
source pdb_hetatom : GOL_1ve6_A_751

48) chain A
residue 167
type binding
ligand GOL: GLYCEROL
sequence L
description GLYCEROL binding site
source pdb_hetatom : GOL_1ve6_A_751

49) chain A
residue 198-201
type binding
ligand GOL: GLYCEROL
sequence SSAS
description GLYCEROL binding site
source pdb_hetatom : GOL_1ve6_A_751

50) chain A
residue 250-252
type binding
ligand GOL: GLYCEROL
sequence WLG
description GLYCEROL binding site
source pdb_hetatom : GOL_1ve6_A_751

51) chain B
residue 20
type binding
ligand BOG: B-OCTYLGLUCOSIDE
sequence I
description B-OCTYLGLUCOSIDE binding site
source pdb_hetatom : BOG_1ve6_B_1936

52) chain B
residue 24-26
type binding
ligand BOG: B-OCTYLGLUCOSIDE
sequence KYS
description B-OCTYLGLUCOSIDE binding site
source pdb_hetatom : BOG_1ve6_B_1936

53) chain B
residue 39-41
type binding
ligand BOG: B-OCTYLGLUCOSIDE
sequence VGF
description B-OCTYLGLUCOSIDE binding site
source pdb_hetatom : BOG_1ve6_B_1936

54) chain B
residue 46
type binding
ligand BOG: B-OCTYLGLUCOSIDE
sequence V
description B-OCTYLGLUCOSIDE binding site
source pdb_hetatom : BOG_1ve6_B_1936

55) chain B
residue 306
type binding
ligand BOG: B-OCTYLGLUCOSIDE
sequence P
description B-OCTYLGLUCOSIDE binding site
source pdb_hetatom : BOG_1ve6_B_1936

56) chain B
residue 380-381
type binding
ligand BOG: B-OCTYLGLUCOSIDE
sequence TF
description B-OCTYLGLUCOSIDE binding site
source pdb_hetatom : BOG_1ve6_B_1936

57) chain B
residue 558-559
type binding
ligand BOG: B-OCTYLGLUCOSIDE
sequence IN
description B-OCTYLGLUCOSIDE binding site
source pdb_hetatom : BOG_1ve6_B_1936

58) chain B
residue 564
type binding
ligand BOG: B-OCTYLGLUCOSIDE
sequence A
description B-OCTYLGLUCOSIDE binding site
source pdb_hetatom : BOG_1ve6_B_1936

59) chain B
residue 567-568
type binding
ligand BOG: B-OCTYLGLUCOSIDE
sequence IL
description B-OCTYLGLUCOSIDE binding site
source pdb_hetatom : BOG_1ve6_B_1936

60) chain B
residue 156-158
type binding
ligand GOL: GLYCEROL
sequence VSD
description GLYCEROL binding site
source pdb_hetatom : GOL_1ve6_B_1751

61) chain B
residue 167
type binding
ligand GOL: GLYCEROL
sequence L
description GLYCEROL binding site
source pdb_hetatom : GOL_1ve6_B_1751

62) chain B
residue 198-201
type binding
ligand GOL: GLYCEROL
sequence SSAS
description GLYCEROL binding site
source pdb_hetatom : GOL_1ve6_B_1751

63) chain B
residue 250-252
type binding
ligand GOL: GLYCEROL
sequence WLG
description GLYCEROL binding site
source pdb_hetatom : GOL_1ve6_B_1751

64) chain A
residue 445
type catalytic
ligand
sequence S
description Annotated By Reference To The Literature 1c4x
source CSA : CSA1

65) chain A
residue 556
type catalytic
ligand
sequence H
description Annotated By Reference To The Literature 1c4x
source CSA : CSA1

66) chain A
residue 524
type catalytic
ligand
sequence D
description Annotated By Reference To The Literature 1c4x
source CSA : CSA1

67) chain B
residue 445
type catalytic
ligand
sequence S
description Annotated By Reference To The Literature 1c4x
source CSA : CSA2

68) chain B
residue 556
type catalytic
ligand
sequence H
description Annotated By Reference To The Literature 1c4x
source CSA : CSA2

69) chain B
residue 524
type catalytic
ligand
sequence D
description Annotated By Reference To The Literature 1c4x
source CSA : CSA2


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