eF-site ID 1swv-A
PDB Code 1swv
Chain A

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Title Crystal structure of the D12A mutant of phosphonoacetaldehyde hydrolase complexed with magnesium
Classification HYDROLASE
Compound phosphonoacetaldehyde hydrolase
Source Bacillus cereus (O31156_BACCE)
Sequence A:  KIEAVIFAWAGTTVDYGCFAPLEVFMEIFHKRGVAITAEE
ARKPMGLLKIDHVRALTEMPRIASEWNRVFRQLPTEADIQ
EMYEEFEEILFAILPRYASPINGVKEVIASLRERGIKIGS
TTGYTREMMDIVAKEAALQGYKPDFLVTPDDVPAGRPYPW
MCYKNAMELGVYPMNHMIKVGDTVSDMKEGRNAGMWTVGV
ILGSSELGLTEEEVENMDSVELREKIEVVRNRFVENGAHF
TIETMQELESVMEHIEK
Description


Functional site

1) chain A
residue 12
type
sequence A
description BINDING SITE FOR RESIDUE MG A 501
source : AC1

2) chain A
residue 14
type
sequence A
description BINDING SITE FOR RESIDUE MG A 501
source : AC1

3) chain A
residue 186
type
sequence D
description BINDING SITE FOR RESIDUE MG A 501
source : AC1

4) chain A
residue 190
type
sequence D
description BINDING SITE FOR RESIDUE MG A 501
source : AC1

5) chain A
residue 12
type catalytic
sequence A
description 181
source MCSA : MCSA1

6) chain A
residue 14
type catalytic
sequence A
description 181
source MCSA : MCSA1

7) chain A
residue 45
type catalytic
sequence A
description 181
source MCSA : MCSA1

8) chain A
residue 49
type catalytic
sequence M
description 181
source MCSA : MCSA1

9) chain A
residue 53
type catalytic
sequence K
description 181
source MCSA : MCSA1

10) chain A
residue 56
type catalytic
sequence H
description 181
source MCSA : MCSA1

11) chain A
residue 160
type catalytic
sequence R
description 181
source MCSA : MCSA1

12) chain A
residue 186
type catalytic
sequence D
description 181
source MCSA : MCSA1

13) chain A
residue 12
type BINDING
sequence A
description
source Swiss-Prot : SWS_FT_FI3

14) chain A
residue 14
type BINDING
sequence A
description
source Swiss-Prot : SWS_FT_FI3

15) chain A
residue 186
type BINDING
sequence D
description
source Swiss-Prot : SWS_FT_FI3

16) chain A
residue 12
type ACT_SITE
sequence A
description Nucleophile
source Swiss-Prot : SWS_FT_FI1

17) chain A
residue 53
type ACT_SITE
sequence K
description Schiff-base intermediate with substrate
source Swiss-Prot : SWS_FT_FI2


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