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4CBQ

Crystal structure of the thioredoxin reductase from Entamoeba histolytica with auranofin Au(I) bound to Cys286

Functional Information from GO Data
ChainGOidnamespacecontents
A0000166molecular_functionnucleotide binding
A0004791molecular_functionthioredoxin-disulfide reductase (NADPH) activity
A0005737cellular_componentcytoplasm
A0005829cellular_componentcytosol
A0016491molecular_functionoxidoreductase activity
A0019430biological_processremoval of superoxide radicals
A0045454biological_processcell redox homeostasis
B0000166molecular_functionnucleotide binding
B0004791molecular_functionthioredoxin-disulfide reductase (NADPH) activity
B0005737cellular_componentcytoplasm
B0005829cellular_componentcytosol
B0016491molecular_functionoxidoreductase activity
B0019430biological_processremoval of superoxide radicals
B0045454biological_processcell redox homeostasis
Functional Information from PDB Data
site_idAC1
Number of Residues24
DetailsBINDING SITE FOR RESIDUE NDP A 1315
ChainResidue
AGLY160
AALA245
AILE246
ASO41316
AFAD1320
AHOH2125
AHOH2126
AHOH2128
AHOH2131
AHOH2134
AHOH2168
AGLY161
AHOH2217
AHOH2218
AHOH2219
AHOH2220
AHOH2222
AASP162
AALA163
AGLU166
AHIS182
AARG183
AARG184
AARG188

site_idAC2
Number of Residues24
DetailsBINDING SITE FOR RESIDUE NDP B 1315
ChainResidue
ASO41316
AHOH2133
BLYS122
BGLY160
BGLY161
BASP162
BALA163
BHIS182
BARG183
BARG184
BARG188
BALA245
BILE246
BHIS248
BTYR290
BARG291
BGLN292
BHOH2099
BHOH2100
BHOH2107
BHOH2108
BHOH2110
BHOH2147
BHOH2192

site_idAC3
Number of Residues4
DetailsBINDING SITE FOR RESIDUE SO4 A 1316
ChainResidue
AARG183
ANDP1315
BARG183
BNDP1315

site_idAC4
Number of Residues5
DetailsBINDING SITE FOR RESIDUE SO4 B 1316
ChainResidue
BLEU268
BLYS273
BTHR274
BSER275
BHOH2159

site_idAC5
Number of Residues5
DetailsBINDING SITE FOR RESIDUE SO4 B 1317
ChainResidue
BGLY128
BGLU129
BASP130
BLYS131
BHOH2082

site_idAC6
Number of Residues6
DetailsBINDING SITE FOR RESIDUE SO4 A 1317
ChainResidue
APRO127
AGLY128
AGLU129
AASP130
ALYS131
AHOH2107

site_idAC7
Number of Residues7
DetailsBINDING SITE FOR RESIDUE SO4 A 1318
ChainResidue
ALEU268
ATHR269
AGLU270
ATHR274
ASER275
AHOH2182
AHOH2194

site_idAC8
Number of Residues1
DetailsBINDING SITE FOR RESIDUE AU A 1319
ChainResidue
ACYS286

site_idAC9
Number of Residues1
DetailsBINDING SITE FOR RESIDUE AU B 1318
ChainResidue
BCYS286

site_idBC1
Number of Residues42
DetailsBINDING SITE FOR RESIDUE FAD A 1320
ChainResidue
ATHR117
AGLY118
AALA119
AHIS248
AGLY283
AASP284
AARG291
AGLN292
AALA293
AALA296
ANDP1315
AHOH2009
AHOH2022
AHOH2037
AHOH2042
AHOH2044
AHOH2098
AHOH2099
AHOH2224
BTYR22
AILE10
AGLY11
ASER12
AGLY13
APRO14
AALA15
ATYR33
AGLU34
AGLY35
AALA38
AVAL41
AALA42
AALA43
AGLY45
AGLN46
ALEU47
ATHR50
AILE53
AASN55
ATHR87
AILE88
AALA116

site_idBC2
Number of Residues39
DetailsBINDING SITE FOR RESIDUE FAD B 1321
ChainResidue
ATYR22
AHOH2015
BILE10
BGLY11
BSER12
BGLY13
BPRO14
BALA15
BTYR33
BGLU34
BGLY35
BALA38
BVAL41
BALA42
BALA43
BGLY45
BGLN46
BLEU47
BTHR50
BILE53
BASN55
BILE88
BTHR117
BGLY118
BALA119
BGLY283
BASP284
BARG291
BGLN292
BALA293
BALA296
BHOH2013
BHOH2025
BHOH2034
BHOH2039
BHOH2040
BHOH2074
BHOH2075
BHOH2193

Functional Information from PROSITE/UniProt
site_idPS00573
Number of Residues23
DetailsPYRIDINE_REDOX_2 Pyridine nucleotide-disulphide oxidoreductases class-II active site. CaiCDGavpiFrnkvLmVVGGGD
ChainResidueDetails
ACYS140-ASP162

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PDB entries from 2026-01-14

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