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1S0Y

The structure of trans-3-chloroacrylic acid dehalogenase, covalently inactivated by the mechanism-based inhibitor 3-bromopropiolate at 2.3 Angstrom resolution

Functional Information from GO Data
ChainGOidnamespacecontents
A0016853molecular_functionisomerase activity
B0016853molecular_functionisomerase activity
C0016853molecular_functionisomerase activity
D0016853molecular_functionisomerase activity
E0016853molecular_functionisomerase activity
F0016853molecular_functionisomerase activity
G0016853molecular_functionisomerase activity
H0016853molecular_functionisomerase activity
I0016853molecular_functionisomerase activity
J0016853molecular_functionisomerase activity
K0016853molecular_functionisomerase activity
L0016853molecular_functionisomerase activity
Functional Information from PDB Data
site_idAC1
Number of Residues9
DetailsBINDING SITE FOR RESIDUE MLA B 101
ChainResidue
BPRO2
BPHE3
BILE38
EASP7
EMET8
EARG9
EARG12
EGLU53
ELEU58

site_idAC2
Number of Residues10
DetailsBINDING SITE FOR RESIDUE MLA D 102
ChainResidue
AASP7
AMET8
AARG9
AARG12
APHE51
AGLU53
AHOH89
DPRO2
DPHE3
DILE38

site_idAC3
Number of Residues8
DetailsBINDING SITE FOR RESIDUE MLA F 103
ChainResidue
CASP7
CARG9
CARG12
CPHE51
CGLU53
FPRO2
FPHE3
FILE38

site_idAC4
Number of Residues8
DetailsBINDING SITE FOR RESIDUE MLA H 104
ChainResidue
HPRO2
HPHE3
KASP7
KMET8
KARG9
KARG12
KPHE51
KGLU53

site_idAC5
Number of Residues9
DetailsBINDING SITE FOR RESIDUE MLA J 105
ChainResidue
GASP7
GMET8
GARG9
GARG12
GPHE51
GHOH91
JPRO2
JPHE3
JILE38

site_idAC6
Number of Residues7
DetailsBINDING SITE FOR RESIDUE MLA L 106
ChainResidue
IASP7
IARG9
IARG12
IPHE51
LPRO2
LPHE3
LILE38

Catalytic Information from CSA
site_idCSA1
Number of Residues2
DetailsAnnotated By Reference To The Literature 1bjp
ChainResidueDetails
APHE51
APRO2

site_idCSA10
Number of Residues1
DetailsAnnotated By Reference To The Literature 1bjp
ChainResidueDetails
GPHE40

site_idCSA11
Number of Residues1
DetailsAnnotated By Reference To The Literature 1bjp
ChainResidueDetails
IPHE40

site_idCSA12
Number of Residues1
DetailsAnnotated By Reference To The Literature 1bjp
ChainResidueDetails
KPHE40

site_idCSA2
Number of Residues2
DetailsAnnotated By Reference To The Literature 1bjp
ChainResidueDetails
CPHE51
CPRO2

site_idCSA3
Number of Residues2
DetailsAnnotated By Reference To The Literature 1bjp
ChainResidueDetails
EPHE51
EPRO2

site_idCSA4
Number of Residues2
DetailsAnnotated By Reference To The Literature 1bjp
ChainResidueDetails
GPHE51
GPRO2

site_idCSA5
Number of Residues2
DetailsAnnotated By Reference To The Literature 1bjp
ChainResidueDetails
IPHE51
IPRO2

site_idCSA6
Number of Residues2
DetailsAnnotated By Reference To The Literature 1bjp
ChainResidueDetails
KPHE51
KPRO2

site_idCSA7
Number of Residues1
DetailsAnnotated By Reference To The Literature 1bjp
ChainResidueDetails
APHE40

site_idCSA8
Number of Residues1
DetailsAnnotated By Reference To The Literature 1bjp
ChainResidueDetails
CPHE40

site_idCSA9
Number of Residues1
DetailsAnnotated By Reference To The Literature 1bjp
ChainResidueDetails
EPHE40

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PDB entries from 2026-01-21

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