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5K87

crystal structure of malonate bound to methylaconitate isomerase PrpF from Shewanella oneidensis

Functional Information from GO Data
ChainGOidnamespacecontents
A0016853molecular_functionisomerase activity
A0016863molecular_functionintramolecular oxidoreductase activity, transposing C=C bonds
A0019629biological_processpropionate catabolic process, 2-methylcitrate cycle
B0016853molecular_functionisomerase activity
B0016863molecular_functionintramolecular oxidoreductase activity, transposing C=C bonds
B0019629biological_processpropionate catabolic process, 2-methylcitrate cycle
Functional Information from PDB Data
site_idAC1
Number of Residues11
Detailsbinding site for residue MLI A 401
ChainResidue
ATHR68
AHOH721
AHOH741
ASER69
ASER70
AGLN240
ALEU316
AHIS317
AHIS318
AHOH514
AHOH539

site_idAC2
Number of Residues11
Detailsbinding site for residue MLI A 402
ChainResidue
ASER22
AGLU73
ACYS107
AGLY108
AASN109
AHIS317
AMET321
AGLY322
ATHR323
AHOH576
AHOH593

site_idAC3
Number of Residues10
Detailsbinding site for residue MLI B 401
ChainResidue
BTHR68
BSER69
BSER70
BGLN240
BHIS317
BHIS318
BHOH513
BHOH705
BHOH717
BHOH722

site_idAC4
Number of Residues11
Detailsbinding site for residue MLI B 402
ChainResidue
BSER22
BGLU73
BCYS107
BGLY108
BASN109
BHIS317
BMET321
BGLY322
BTHR323
BHOH582
BHOH604

Functional Information from SwissProt/UniProt
site_idSWS_FT_FI1
Number of Residues4
DetailsActive site: {"description":"Proton donor/acceptor","evidences":[{"source":"PubMed","id":"17567742","evidenceCode":"ECO:0000305"}]}
ChainResidueDetails

site_idSWS_FT_FI2
Number of Residues20
DetailsBinding site: {"evidences":[{"source":"PubMed","id":"17567742","evidenceCode":"ECO:0000269"}]}
ChainResidueDetails

site_idSWS_FT_FI3
Number of Residues2
DetailsModified residue: {"description":"Cysteine sulfinic acid (-SO2H)","evidences":[{"source":"PubMed","id":"17567742","evidenceCode":"ECO:0000269"}]}
ChainResidueDetails

247536

PDB entries from 2026-01-14

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