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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
DetailsACT_SITE: Proton donor/acceptor => ECO:0000305|PubMed:17567742
ChainResidueDetails
ACYS107
AMET321
BCYS107
BMET321

site_idSWS_FT_FI2
Number of Residues14
DetailsBINDING: BINDING => ECO:0000269|PubMed:17567742
ChainResidueDetails
BLYS281
BSER312
BHIS317
BGLY322
ASER22
ASER69
AASN109
ALYS281
ASER312
AHIS317
AGLY322
BSER22
BSER69
BASN109

site_idSWS_FT_FI3
Number of Residues2
DetailsMOD_RES: Cysteine sulfinic acid (-SO2H) => ECO:0000269|PubMed:17567742
ChainResidueDetails
ACYS107
BCYS107

219869

PDB entries from 2024-05-15

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