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3B12

Crystal Structure of the Fluoroacetate Dehalogenase D104 mutant from Burkholderia sp. FA1 in complex with fluoroacetate

Functional Information from GO Data
ChainGOidnamespacecontents
A0016020cellular_componentmembrane
A0016787molecular_functionhydrolase activity
A0018785molecular_functionhaloacetate dehalogenase activity
A0046464biological_processacylglycerol catabolic process
A0047372molecular_functionmonoacylglycerol lipase activity
B0016020cellular_componentmembrane
B0016787molecular_functionhydrolase activity
B0018785molecular_functionhaloacetate dehalogenase activity
B0046464biological_processacylglycerol catabolic process
B0047372molecular_functionmonoacylglycerol lipase activity
Functional Information from PDB Data
site_idAC1
Number of Residues9
DetailsBINDING SITE FOR RESIDUE FAH A 501
ChainResidue
AALA104
AARG105
AARG108
AILE129
AHIS149
ATRP150
ATYR212
AHIS271
AHOH544

site_idAC2
Number of Residues4
DetailsBINDING SITE FOR RESIDUE MG A 503
ChainResidue
ATYR77
APHE79
AASP211
AASP219

site_idAC3
Number of Residues9
DetailsBINDING SITE FOR RESIDUE FAH B 501
ChainResidue
BALA104
BARG105
BARG108
BILE129
BHIS149
BTRP150
BTYR212
BHIS271
BHOH440

site_idAC4
Number of Residues7
DetailsBINDING SITE FOR RESIDUE FAH B 502
ChainResidue
BHIS111
BASP223
BLEU227
BARG258
BHOH358
BHOH459
BHOH496

site_idAC5
Number of Residues4
DetailsBINDING SITE FOR RESIDUE MG B 503
ChainResidue
BTYR77
BPHE79
BASP211
BASP219

Functional Information from SwissProt/UniProt
site_idSWS_FT_FI1
Number of Residues250
DetailsDomain: {"description":"AB hydrolase-1","evidences":[{"evidenceCode":"ECO:0000255"}]}
ChainResidueDetails

site_idSWS_FT_FI2
Number of Residues2
DetailsActive site: {"description":"Nucleophile"}
ChainResidueDetails

site_idSWS_FT_FI3
Number of Residues2
DetailsActive site: {"description":"Proton acceptor","evidences":[{"evidenceCode":"ECO:0000305"}]}
ChainResidueDetails

site_idSWS_FT_FI4
Number of Residues10
DetailsBinding site: {"evidences":[{"source":"UniProtKB","id":"Q6NAM1","evidenceCode":"ECO:0000250"}]}
ChainResidueDetails

site_idSWS_FT_FI5
Number of Residues2
DetailsSite: {"description":"Important for enzyme activity"}
ChainResidueDetails

246031

PDB entries from 2025-12-10

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