6C2C

The molecular basis for the functional evolution of an organophosphate hydrolysing enzyme

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Functional Information from GO Data

ChainGOidnamespacecontents
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Functional Information from PDB Data

site_idNumber of ResiduesDetails
AC16binding site for residue ZN A 401
ChainResidue
AASP118
AHIS119
AASP221
AHIS268
AZN402
AHOH517

AC27binding site for residue ZN A 402
ChainResidue
AHIS114
AHIS116
AHIS200
AASP221
AZN401
AHOH517
AHOH652

AC33binding site for residue MG A 403
ChainResidue
AHOH552
AHOH575
BHOH646

AC46binding site for residue PEG A 404
ChainResidue
AVAL32
APRO117
AASP118
APHE162
APHE239
AHIS268

AC56binding site for residue ZN B 401
ChainResidue
BASP118
BHIS119
BASP221
BHIS268
BZN402
BHOH514

AC67binding site for residue ZN B 402
ChainResidue
BHIS114
BHIS116
BHIS200
BASP221
BZN401
BHOH514
BHOH581

AC73binding site for residue MG B 403
ChainResidue
AHOH515
BHOH555
BHOH605

AC86binding site for residue PEG B 404
ChainResidue
BVAL32
BPHE86
BHIS116
BASP118
BPHE162
BHIS268

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Functional Information from PDB atom coordinates for the "HETATM" binding sites

site_idNumber of ResiduesDetails
PEG_6c2c_A_40412DI(HYDROXYETHYL)ETHER binding site
ChainResidueligand
AVAL32PEG: DI(HYDROXYETHYL)ETHER
ALEU34PEG: DI(HYDROXYETHYL)ETHER
ATHR62PEG: DI(HYDROXYETHYL)ETHER
AVAL64PEG: DI(HYDROXYETHYL)ETHER
APHE86PEG: DI(HYDROXYETHYL)ETHER
AHIS116-ASP118PEG: DI(HYDROXYETHYL)ETHER
APHE162PEG: DI(HYDROXYETHYL)ETHER
AHIS224PEG: DI(HYDROXYETHYL)ETHER
APHE239PEG: DI(HYDROXYETHYL)ETHER
AHIS268PEG: DI(HYDROXYETHYL)ETHER

PEG_6c2c_B_40413DI(HYDROXYETHYL)ETHER binding site
ChainResidueligand
BVAL32PEG: DI(HYDROXYETHYL)ETHER
BLEU34PEG: DI(HYDROXYETHYL)ETHER
BTHR62-VAL64PEG: DI(HYDROXYETHYL)ETHER
BPHE86PEG: DI(HYDROXYETHYL)ETHER
BHIS116-ASP118PEG: DI(HYDROXYETHYL)ETHER
BPHE162PEG: DI(HYDROXYETHYL)ETHER
BHIS224PEG: DI(HYDROXYETHYL)ETHER
BPHE239PEG: DI(HYDROXYETHYL)ETHER
BHIS268PEG: DI(HYDROXYETHYL)ETHER

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Functional Information from PROSITE/UniProt

site_idNumber of ResiduesDetails
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Functional Information from SwissProt/UniProt

site_idNumber of ResiduesDetails
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Catalytic Information from CSA

site_idNumber of ResiduesDetails