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3H4K

Crystal structure of the wild type Thioredoxin glutatione reductase from Schistosoma mansoni in complex with auranofin

Functional Information from GO Data
ChainGOidnamespacecontents
A0000166molecular_functionnucleotide binding
A0004362molecular_functionglutathione-disulfide reductase (NADPH) activity
A0004791molecular_functionthioredoxin-disulfide reductase (NADPH) activity
A0005739cellular_componentmitochondrion
A0005829cellular_componentcytosol
A0006749biological_processglutathione metabolic process
A0016491molecular_functionoxidoreductase activity
A0016668molecular_functionoxidoreductase activity, acting on a sulfur group of donors, NAD(P) as acceptor
A0034599biological_processcellular response to oxidative stress
A0045454biological_processcell redox homeostasis
A0046872molecular_functionmetal ion binding
A0050660molecular_functionflavin adenine dinucleotide binding
A0098869biological_processcellular oxidant detoxification
Functional Information from PDB Data
site_idAC1
Number of Residues34
DetailsBINDING SITE FOR RESIDUE FAD A 599
ChainResidue
AGLY114
AGLY158
ACYS159
ALYS162
AALA226
ALYS227
AGLY228
AALA256
ATHR257
AGLY258
ATYR296
AGLY116
AARG393
AVAL400
AGLY432
AASP433
AGLN440
ALEU441
ATHR442
APRO443
AHIS571
AHOH612
ASER117
AHOH616
AHOH631
AHOH633
AHOH637
AHOH646
AGLY118
AASP137
ATYR138
AGLY152
ATHR153
ACYS154

site_idAC2
Number of Residues4
DetailsBINDING SITE FOR RESIDUE AU A 600
ChainResidue
APHE505
APRO507
ACYS520
ACYS574

site_idAC3
Number of Residues4
DetailsBINDING SITE FOR RESIDUE AU A 601
ChainResidue
ACYS154
ACYS159
ATHR442
AHIS571

site_idAC4
Number of Residues2
DetailsBINDING SITE FOR RESIDUE AU A 602
ChainResidue
ASER295
AGLY392

site_idAC5
Number of Residues8
DetailsBINDING SITE FOR RESIDUE GSH A 604
ChainResidue
ALYS25
ACYS28
AGLN60
ATHR71
AVAL72
AASP84
ASER85
AGLN86

site_idAC6
Number of Residues10
DetailsBINDING SITE FOR RESIDUE PG4 A 605
ChainResidue
ASER318
AILE319
ALEU320
AGLN326
AALA329
AGLY333
AASP334
AGLU337
ALYS345
AHOH608

site_idAC7
Number of Residues10
DetailsBINDING SITE FOR RESIDUE PG4 A 606
ChainResidue
ATRP10
ALYS13
ATHR14
ASER17
AASP420
ATYR429
AARG455
ALEU456
AALA460
ATHR461

Functional Information from PROSITE/UniProt
site_idPS00076
Number of Residues11
DetailsPYRIDINE_REDOX_1 Pyridine nucleotide-disulphide oxidoreductases class-I active site. GGtCVnvGCIP
ChainResidueDetails
AGLY151-PRO161

site_idPS00194
Number of Residues19
DetailsTHIOREDOXIN_1 Thioredoxin family active site. VIlFSktTCPYCKkVkdvL
ChainResidueDetails
AVAL20-LEU38

site_idPS00195
Number of Residues17
DetailsGLUTAREDOXIN_1 Glutaredoxin active site. LFskttCPYCkkVkdvL
ChainResidueDetails
ALEU22-LEU38

Catalytic Information from CSA
site_idCSA1
Number of Residues2
DetailsAnnotated By Reference To The Literature 1get
ChainResidueDetails
ACYS154
ACYS159

site_idCSA2
Number of Residues2
DetailsAnnotated By Reference To The Literature 1get
ChainResidueDetails
AGLU576
AHIS571

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PDB entries from 2025-12-24

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