eF-site ID 6n3p-A
PDB Code 6n3p
Chain A

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Title Crosslinked AcpP=FabZ complex from E. coli Type II FAS
Classification BIOSYNTHETIC PROTEIN
Compound 3-hydroxyacyl-[acyl-carrier-protein] dehydratase FabZ
Source (ACP_ECO45)
Sequence A:  HTLQIEEILELLPHRFPFLLVDRVLDFEEGRFLRAVKNVS
VNEPFFQGHFPGKPIFPGVLILEAMAQATGILAFKSVGKL
EPGELYYFAGIDEARFKRPVVPGDQMIMEVTFEKTRRGLT
RFKGVALVDGKVVCEATMMCARSR
Description (1)  3-hydroxyacyl-[acyl-carrier-protein] dehydratase FabZ (E.C.4.2.1.59), Acyl carrier protein


Functional site

1) chain A
residue 33
type
ligand
sequence E
description binding site for Di-peptide XLN A 400 and SER I 36
source : AC1

2) chain A
residue 34
type
ligand
sequence E
description binding site for Di-peptide XLN A 400 and SER I 36
source : AC1

3) chain A
residue 35
type
ligand
sequence G
description binding site for Di-peptide XLN A 400 and SER I 36
source : AC1

4) chain A
residue 37
type
ligand
sequence F
description binding site for Di-peptide XLN A 400 and SER I 36
source : AC1

5) chain A
residue 54
type
ligand
sequence H
description binding site for Di-peptide XLN A 400 and SER I 36
source : AC1

6) chain A
residue 55
type
ligand
sequence F
description binding site for Di-peptide XLN A 400 and SER I 36
source : AC1

7) chain A
residue 61
type
ligand
sequence F
description binding site for Di-peptide XLN A 400 and SER I 36
source : AC1

8) chain A
residue 63
type
ligand
sequence G
description binding site for Di-peptide XLN A 400 and SER I 36
source : AC1

9) chain A
residue 101
type
ligand
sequence F
description binding site for Di-peptide XLN A 400 and SER I 36
source : AC1

10) chain A
residue 102
type
ligand
sequence K
description binding site for Di-peptide XLN A 400 and SER I 36
source : AC1

11) chain A
residue 103
type
ligand
sequence R
description binding site for Di-peptide XLN A 400 and SER I 36
source : AC1

12) chain A
residue 104
type
ligand
sequence P
description binding site for Di-peptide XLN A 400 and SER I 36
source : AC1

13) chain A
residue 116
type
ligand
sequence T
description binding site for Di-peptide XLN A 400 and SER I 36
source : AC1

14) chain A
residue 117
type
ligand
sequence F
description binding site for Di-peptide XLN A 400 and SER I 36
source : AC1

15) chain A
residue 33
type
ligand
sequence E
description binding site for Di-peptide XLN A 400 and SER I 36
source : AC2

16) chain A
residue 34
type
ligand
sequence E
description binding site for Di-peptide XLN A 400 and SER I 36
source : AC2

17) chain A
residue 35
type
ligand
sequence G
description binding site for Di-peptide XLN A 400 and SER I 36
source : AC2

18) chain A
residue 37
type
ligand
sequence F
description binding site for Di-peptide XLN A 400 and SER I 36
source : AC2

19) chain A
residue 54
type
ligand
sequence H
description binding site for Di-peptide XLN A 400 and SER I 36
source : AC2

20) chain A
residue 55
type
ligand
sequence F
description binding site for Di-peptide XLN A 400 and SER I 36
source : AC2

21) chain A
residue 61
type
ligand
sequence F
description binding site for Di-peptide XLN A 400 and SER I 36
source : AC2

22) chain A
residue 63
type
ligand
sequence G
description binding site for Di-peptide XLN A 400 and SER I 36
source : AC2

23) chain A
residue 101
type
ligand
sequence F
description binding site for Di-peptide XLN A 400 and SER I 36
source : AC2

24) chain A
residue 102
type
ligand
sequence K
description binding site for Di-peptide XLN A 400 and SER I 36
source : AC2

25) chain A
residue 103
type
ligand
sequence R
description binding site for Di-peptide XLN A 400 and SER I 36
source : AC2

26) chain A
residue 104
type
ligand
sequence P
description binding site for Di-peptide XLN A 400 and SER I 36
source : AC2

27) chain A
residue 116
type
ligand
sequence T
description binding site for Di-peptide XLN A 400 and SER I 36
source : AC2

28) chain A
residue 117
type
ligand
sequence F
description binding site for Di-peptide XLN A 400 and SER I 36
source : AC2

29) chain A
residue 68
type
ligand
sequence E
description binding site for Di-peptide XLN B 400 and SER K 36
source : AC3

30) chain A
residue 91
type
ligand
sequence Y
description binding site for Di-peptide XLN B 400 and SER K 36
source : AC3

31) chain A
residue 92
type
ligand
sequence Y
description binding site for Di-peptide XLN B 400 and SER K 36
source : AC3

32) chain A
residue 93
type
ligand
sequence F
description binding site for Di-peptide XLN B 400 and SER K 36
source : AC3

33) chain A
residue 68
type
ligand
sequence E
description binding site for Di-peptide XLN B 400 and SER K 36
source : AC4

34) chain A
residue 91
type
ligand
sequence Y
description binding site for Di-peptide XLN B 400 and SER K 36
source : AC4

35) chain A
residue 92
type
ligand
sequence Y
description binding site for Di-peptide XLN B 400 and SER K 36
source : AC4

36) chain A
residue 93
type
ligand
sequence F
description binding site for Di-peptide XLN B 400 and SER K 36
source : AC4

37) chain A
residue 19
type binding
ligand XLN: N~3~-{(2R)-4-[(dihydroxyphosphanyl)oxy]-2-hydroxy-3,3-dimethylbutanoyl}-N-(3-{[(1Z)-pent-1-en-1-yl]sulfonyl}propyl)-beta-alaninamide
sequence H
description N~3~-{(2R)-4-[(dihydroxyphosphanyl)oxy]-2-hydroxy-3,3-dimethylbutanoyl}-N-(3-{[(1Z)-pent-1-en-1-yl]sulfonyl}propyl)-beta-alaninamide binding site
source pdb_hetatom : XLN_6n3p_B_400

38) chain A
residue 68
type binding
ligand XLN: N~3~-{(2R)-4-[(dihydroxyphosphanyl)oxy]-2-hydroxy-3,3-dimethylbutanoyl}-N-(3-{[(1Z)-pent-1-en-1-yl]sulfonyl}propyl)-beta-alaninamide
sequence E
description N~3~-{(2R)-4-[(dihydroxyphosphanyl)oxy]-2-hydroxy-3,3-dimethylbutanoyl}-N-(3-{[(1Z)-pent-1-en-1-yl]sulfonyl}propyl)-beta-alaninamide binding site
source pdb_hetatom : XLN_6n3p_B_400

39) chain A
residue 71
type binding
ligand XLN: N~3~-{(2R)-4-[(dihydroxyphosphanyl)oxy]-2-hydroxy-3,3-dimethylbutanoyl}-N-(3-{[(1Z)-pent-1-en-1-yl]sulfonyl}propyl)-beta-alaninamide
sequence A
description N~3~-{(2R)-4-[(dihydroxyphosphanyl)oxy]-2-hydroxy-3,3-dimethylbutanoyl}-N-(3-{[(1Z)-pent-1-en-1-yl]sulfonyl}propyl)-beta-alaninamide binding site
source pdb_hetatom : XLN_6n3p_B_400

40) chain A
residue 90-94
type binding
ligand XLN: N~3~-{(2R)-4-[(dihydroxyphosphanyl)oxy]-2-hydroxy-3,3-dimethylbutanoyl}-N-(3-{[(1Z)-pent-1-en-1-yl]sulfonyl}propyl)-beta-alaninamide
sequence LYYFA
description N~3~-{(2R)-4-[(dihydroxyphosphanyl)oxy]-2-hydroxy-3,3-dimethylbutanoyl}-N-(3-{[(1Z)-pent-1-en-1-yl]sulfonyl}propyl)-beta-alaninamide binding site
source pdb_hetatom : XLN_6n3p_B_400

41) chain A
residue 148
type binding
ligand XLN: N~3~-{(2R)-4-[(dihydroxyphosphanyl)oxy]-2-hydroxy-3,3-dimethylbutanoyl}-N-(3-{[(1Z)-pent-1-en-1-yl]sulfonyl}propyl)-beta-alaninamide
sequence S
description N~3~-{(2R)-4-[(dihydroxyphosphanyl)oxy]-2-hydroxy-3,3-dimethylbutanoyl}-N-(3-{[(1Z)-pent-1-en-1-yl]sulfonyl}propyl)-beta-alaninamide binding site
source pdb_hetatom : XLN_6n3p_B_400

42) chain A
residue 54-55
type binding
ligand XLN: N~3~-{(2R)-4-[(dihydroxyphosphanyl)oxy]-2-hydroxy-3,3-dimethylbutanoyl}-N-(3-{[(1Z)-pent-1-en-1-yl]sulfonyl}propyl)-beta-alaninamide
sequence HF
description N~3~-{(2R)-4-[(dihydroxyphosphanyl)oxy]-2-hydroxy-3,3-dimethylbutanoyl}-N-(3-{[(1Z)-pent-1-en-1-yl]sulfonyl}propyl)-beta-alaninamide binding site
source pdb_hetatom : XLN_6n3p_A_400

43) chain A
residue 60-64
type binding
ligand XLN: N~3~-{(2R)-4-[(dihydroxyphosphanyl)oxy]-2-hydroxy-3,3-dimethylbutanoyl}-N-(3-{[(1Z)-pent-1-en-1-yl]sulfonyl}propyl)-beta-alaninamide
sequence IFPGV
description N~3~-{(2R)-4-[(dihydroxyphosphanyl)oxy]-2-hydroxy-3,3-dimethylbutanoyl}-N-(3-{[(1Z)-pent-1-en-1-yl]sulfonyl}propyl)-beta-alaninamide binding site
source pdb_hetatom : XLN_6n3p_A_400

44) chain A
residue 101-104
type binding
ligand XLN: N~3~-{(2R)-4-[(dihydroxyphosphanyl)oxy]-2-hydroxy-3,3-dimethylbutanoyl}-N-(3-{[(1Z)-pent-1-en-1-yl]sulfonyl}propyl)-beta-alaninamide
sequence FKRP
description N~3~-{(2R)-4-[(dihydroxyphosphanyl)oxy]-2-hydroxy-3,3-dimethylbutanoyl}-N-(3-{[(1Z)-pent-1-en-1-yl]sulfonyl}propyl)-beta-alaninamide binding site
source pdb_hetatom : XLN_6n3p_A_400


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