eF-site ID 6c2c-A
PDB Code 6c2c
Chain A

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Title The molecular basis for the functional evolution of an organophosphate hydrolysing enzyme
Classification HYDROLASE
Compound dihydrocoumarin hydrolase, AncDHCH1
Source (6C2C)
Sequence A:  GTIGSMAAAPQVKTQAPGFYRMMLGDFEVTALSDGTVDLP
VDKLLNQPPAKTQSALAKSFLKAPLETSVNAYLVNTGSKL
VLVDTGAAGLFGPTLGKLAANLKAAGYQPEQVDEIYITHM
HPDHVGGLMANEQAAFPNAVVRADQKDADFWLSQANLDKA
PDDEKGFFQGAMASLNPYVKAGKFKPFSGNTDLVPGIKAL
ASHGHTPGHTTYVVESKGQKLVLLGDLIHVAAVQFDDPSV
TIQFDSDSKAAAAERKKAFADAAKGGYLIGAAHLSFPGIG
HIRADGKGYRFVPVNYSVA
Description (1)  New Delhi Metallo beta Lactamase-1


Functional site

1) chain A
residue 118
type
ligand
sequence D
description binding site for residue ZN A 401
source : AC1

2) chain A
residue 119
type
ligand
sequence H
description binding site for residue ZN A 401
source : AC1

3) chain A
residue 221
type
ligand
sequence D
description binding site for residue ZN A 401
source : AC1

4) chain A
residue 268
type
ligand
sequence H
description binding site for residue ZN A 401
source : AC1

5) chain A
residue 114
type
ligand
sequence H
description binding site for residue ZN A 402
source : AC2

6) chain A
residue 116
type
ligand
sequence H
description binding site for residue ZN A 402
source : AC2

7) chain A
residue 200
type
ligand
sequence H
description binding site for residue ZN A 402
source : AC2

8) chain A
residue 221
type
ligand
sequence D
description binding site for residue ZN A 402
source : AC2

9) chain A
residue 32
type
ligand
sequence V
description binding site for residue PEG A 404
source : AC4

10) chain A
residue 117
type
ligand
sequence P
description binding site for residue PEG A 404
source : AC4

11) chain A
residue 118
type
ligand
sequence D
description binding site for residue PEG A 404
source : AC4

12) chain A
residue 162
type
ligand
sequence F
description binding site for residue PEG A 404
source : AC4

13) chain A
residue 239
type
ligand
sequence F
description binding site for residue PEG A 404
source : AC4

14) chain A
residue 268
type
ligand
sequence H
description binding site for residue PEG A 404
source : AC4

15) chain A
residue 32
type binding
ligand PEG: DI(HYDROXYETHYL)ETHER
sequence V
description DI(HYDROXYETHYL)ETHER binding site
source pdb_hetatom : PEG_6c2c_A_404

16) chain A
residue 34
type binding
ligand PEG: DI(HYDROXYETHYL)ETHER
sequence L
description DI(HYDROXYETHYL)ETHER binding site
source pdb_hetatom : PEG_6c2c_A_404

17) chain A
residue 62
type binding
ligand PEG: DI(HYDROXYETHYL)ETHER
sequence T
description DI(HYDROXYETHYL)ETHER binding site
source pdb_hetatom : PEG_6c2c_A_404

18) chain A
residue 64
type binding
ligand PEG: DI(HYDROXYETHYL)ETHER
sequence V
description DI(HYDROXYETHYL)ETHER binding site
source pdb_hetatom : PEG_6c2c_A_404

19) chain A
residue 86
type binding
ligand PEG: DI(HYDROXYETHYL)ETHER
sequence F
description DI(HYDROXYETHYL)ETHER binding site
source pdb_hetatom : PEG_6c2c_A_404

20) chain A
residue 116-118
type binding
ligand PEG: DI(HYDROXYETHYL)ETHER
sequence HPD
description DI(HYDROXYETHYL)ETHER binding site
source pdb_hetatom : PEG_6c2c_A_404

21) chain A
residue 162
type binding
ligand PEG: DI(HYDROXYETHYL)ETHER
sequence F
description DI(HYDROXYETHYL)ETHER binding site
source pdb_hetatom : PEG_6c2c_A_404

22) chain A
residue 224
type binding
ligand PEG: DI(HYDROXYETHYL)ETHER
sequence H
description DI(HYDROXYETHYL)ETHER binding site
source pdb_hetatom : PEG_6c2c_A_404

23) chain A
residue 239
type binding
ligand PEG: DI(HYDROXYETHYL)ETHER
sequence F
description DI(HYDROXYETHYL)ETHER binding site
source pdb_hetatom : PEG_6c2c_A_404

24) chain A
residue 268
type binding
ligand PEG: DI(HYDROXYETHYL)ETHER
sequence H
description DI(HYDROXYETHYL)ETHER binding site
source pdb_hetatom : PEG_6c2c_A_404


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