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1GUF

Enoyl thioester reductase from Candida tropicalis

Functional Information from GO Data
ChainGOidnamespacecontents
A0005739cellular_componentmitochondrion
A0006631biological_processfatty acid metabolic process
A0006633biological_processfatty acid biosynthetic process
A0016491molecular_functionoxidoreductase activity
A0019166molecular_functiontrans-2-enoyl-CoA reductase (NADPH) activity
A0141148molecular_functionenoyl-[acyl-carrier-protein] reductase (NADPH) activity
B0005739cellular_componentmitochondrion
B0006631biological_processfatty acid metabolic process
B0006633biological_processfatty acid biosynthetic process
B0016491molecular_functionoxidoreductase activity
B0019166molecular_functiontrans-2-enoyl-CoA reductase (NADPH) activity
B0141148molecular_functionenoyl-[acyl-carrier-protein] reductase (NADPH) activity
Functional Information from PDB Data
site_idAC1
Number of Residues3
DetailsBINDING SITE FOR RESIDUE SO4 A 1390
ChainResidue
AGLN33
AHIS34
ALYS85

site_idAC2
Number of Residues4
DetailsBINDING SITE FOR RESIDUE SO4 A 1391
ChainResidue
AARG285
APRO307
ASER309
AHOH2281

site_idAC3
Number of Residues3
DetailsBINDING SITE FOR RESIDUE SO4 A 1392
ChainResidue
AGLU252
ASER250
AARG251

site_idAC4
Number of Residues4
DetailsBINDING SITE FOR RESIDUE SO4 A 4003
ChainResidue
AHOH2287
BGLN33
BHIS34
BLYS85

site_idAC5
Number of Residues4
DetailsBINDING SITE FOR RESIDUE SO4 A 4004
ChainResidue
ALYS145
AGLN151
AASN155
AHOH2131

site_idAC6
Number of Residues1
DetailsBINDING SITE FOR RESIDUE SO4 B 1389
ChainResidue
AGLN263

site_idAC7
Number of Residues2
DetailsBINDING SITE FOR RESIDUE SO4 B 1390
ChainResidue
BARG222
BLYS378

site_idAC8
Number of Residues3
DetailsBINDING SITE FOR RESIDUE SO4 B 1391
ChainResidue
BARG224
BASN226
BVAL230

site_idAC9
Number of Residues25
DetailsBINDING SITE FOR RESIDUE NDP A 1393
ChainResidue
APRO69
AVAL171
AASN172
ATHR175
ATHR199
ASER200
AALA201
AVAL202
AARG222
AARG224
AVAL275
ATYR296
AGLY297
AGLY298
AMET299
APHE321
ATRP322
AVAL323
ALYS381
AGOL1387
AHOH2282
AHOH2283
AHOH2284
AHOH2285
AHOH2286

site_idBC1
Number of Residues28
DetailsBINDING SITE FOR RESIDUE NDP B 1392
ChainResidue
BPRO69
BVAL171
BASN172
BTHR175
BTHR199
BSER200
BALA201
BVAL202
BARG222
BARG224
BVAL275
BTYR296
BGLY297
BGLY298
BMET299
BPHE321
BTRP322
BVAL323
BLYS381
BHOH2036
BHOH2187
BHOH2294
BHOH2301
BHOH2302
BHOH2303
BHOH2304
BHOH2305
BHOH2306

site_idBC2
Number of Residues8
DetailsBINDING SITE FOR RESIDUE GOL A 1387
ChainResidue
ASER70
AASN73
ATYR79
ATYR296
AGLY297
ANDP1393
AHOH2051
BILE312

site_idBC3
Number of Residues4
DetailsBINDING SITE FOR RESIDUE GOL A 1388
ChainResidue
AVAL242
ATHR244
AGLN247
AHOH2183

site_idBC4
Number of Residues7
DetailsBINDING SITE FOR RESIDUE GOL A 1389
ChainResidue
AASN248
AASN249
ASER250
AARG251
AGLY254
AARG285
ALYS286

site_idBC5
Number of Residues10
DetailsBINDING SITE FOR RESIDUE GOL B 1387
ChainResidue
BTYR183
BGLY320
BPHE321
BTRP322
BGLU325
BHOH2149
BHOH2299
ATYR311
AILE312
AASN315

site_idBC6
Number of Residues5
DetailsBINDING SITE FOR RESIDUE GOL B 1388
ChainResidue
BLEU227
BVAL242
BTHR244
BGLN247
BHOH2300

Functional Information from SwissProt/UniProt
site_idSWS_FT_FI1
Number of Residues2
DetailsACT_SITE: Proton donor => ECO:0000269|PubMed:25867044
ChainResidueDetails
ATYR79
BTYR79

site_idSWS_FT_FI2
Number of Residues12
DetailsBINDING: BINDING => ECO:0000269|PubMed:12614607, ECO:0000269|PubMed:12890667
ChainResidueDetails
AASN172
BTYR296
BPHE321
BLYS381
ATHR199
AARG222
ATYR296
APHE321
ALYS381
BASN172
BTHR199
BARG222

Catalytic Information from CSA
site_idCSA1
Number of Residues1
Detailsa catalytic site defined by CSA, PubMed 12614607, 10521269
ChainResidueDetails
ATYR79

site_idCSA2
Number of Residues1
Detailsa catalytic site defined by CSA, PubMed 12614607, 10521269
ChainResidueDetails
BTYR79

site_idMCSA1
Number of Residues1
DetailsM-CSA 620
ChainResidueDetails
ATYR79electrostatic stabiliser, increase electrophilicity

site_idMCSA2
Number of Residues1
DetailsM-CSA 620
ChainResidueDetails
BTYR79electrostatic stabiliser, increase electrophilicity

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PDB entries from 2024-11-06

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