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2PW0

crystal structure of trans-aconitate 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 Residues7
DetailsBINDING SITE FOR RESIDUE EDO B 2045
ChainResidue
BILE144
BASN219
BALA220
BILE222
BPRO223
BHOH2080
BHOH2159

site_idAC2
Number of Residues7
DetailsBINDING SITE FOR RESIDUE EDO A 2046
ChainResidue
ALYS348
AGLU349
AGLN365
AALA366
ATRP373
AALA333
AGLU347

site_idAC3
Number of Residues5
DetailsBINDING SITE FOR RESIDUE EDO A 2047
ChainResidue
AASN219
AALA220
APRO223
AHOH2066
AHOH2124

site_idAC4
Number of Residues4
DetailsBINDING SITE FOR RESIDUE EDO A 2048
ChainResidue
AGLU166
AASP168
AARG352
AHOH2193

site_idAC5
Number of Residues4
DetailsBINDING SITE FOR RESIDUE EDO B 2049
ChainResidue
BPRO33
BGLU34
BHOH2112
BHOH2228

site_idAC6
Number of Residues7
DetailsBINDING SITE FOR RESIDUE EDO B 2050
ChainResidue
BALA333
BGLU347
BLYS348
BGLU349
BALA364
BGLN365
BALA366

site_idAC7
Number of Residues17
DetailsBINDING SITE FOR RESIDUE TRC A 2001
ChainResidue
ASER22
ASER69
ASER70
ALYS73
ACYS107
AASN109
AHIS278
ALYS281
ASER312
AMET313
AHIS317
AMET321
AGLY322
AHOH2511
AHOH2512
AHOH2513
AHOH2514

site_idAC8
Number of Residues13
DetailsBINDING SITE FOR RESIDUE TRC B 2002
ChainResidue
BSER22
BSER69
BSER70
BLYS73
BASN109
BLYS281
BHIS317
BMET321
BGLY322
BHOH2457
BHOH2459
BHOH2460
BHOH2461

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 Residues19
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

238582

PDB entries from 2025-07-09

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