3QFA
Crystal structure of the human thioredoxin reductase-thioredoxin complex
Functional Information from GO Data
| Chain | GOid | namespace | contents |
| A | 0004791 | molecular_function | thioredoxin-disulfide reductase (NADPH) activity |
| A | 0016491 | molecular_function | oxidoreductase activity |
| A | 0016668 | molecular_function | oxidoreductase activity, acting on a sulfur group of donors, NAD(P) as acceptor |
| A | 0045454 | biological_process | cell redox homeostasis |
| A | 0050660 | molecular_function | flavin adenine dinucleotide binding |
| B | 0004791 | molecular_function | thioredoxin-disulfide reductase (NADPH) activity |
| B | 0016491 | molecular_function | oxidoreductase activity |
| B | 0016668 | molecular_function | oxidoreductase activity, acting on a sulfur group of donors, NAD(P) as acceptor |
| B | 0045454 | biological_process | cell redox homeostasis |
| B | 0050660 | molecular_function | flavin adenine dinucleotide binding |
| C | 0000122 | biological_process | negative regulation of transcription by RNA polymerase II |
| C | 0003723 | molecular_function | RNA binding |
| C | 0004791 | molecular_function | thioredoxin-disulfide reductase (NADPH) activity |
| C | 0005515 | molecular_function | protein binding |
| C | 0005576 | cellular_component | extracellular region |
| C | 0005634 | cellular_component | nucleus |
| C | 0005654 | cellular_component | nucleoplasm |
| C | 0005737 | cellular_component | cytoplasm |
| C | 0005829 | cellular_component | cytosol |
| C | 0009314 | biological_process | response to radiation |
| C | 0015035 | molecular_function | protein-disulfide reductase activity |
| C | 0033138 | biological_process | positive regulation of peptidyl-serine phosphorylation |
| C | 0042803 | molecular_function | protein homodimerization activity |
| C | 0043388 | biological_process | positive regulation of DNA binding |
| C | 0045454 | biological_process | cell redox homeostasis |
| C | 0046826 | biological_process | negative regulation of protein export from nucleus |
| C | 0047134 | molecular_function | protein-disulfide reductase (NAD(P)H) activity |
| C | 0051897 | biological_process | positive regulation of phosphatidylinositol 3-kinase/protein kinase B signal transduction |
| C | 0055114 | biological_process | obsolete oxidation-reduction process |
| C | 0061692 | biological_process | cellular detoxification of hydrogen peroxide |
| C | 0070062 | cellular_component | extracellular exosome |
| C | 0071731 | biological_process | response to nitric oxide |
| C | 2000170 | biological_process | positive regulation of peptidyl-cysteine S-nitrosylation |
| D | 0000122 | biological_process | negative regulation of transcription by RNA polymerase II |
| D | 0003723 | molecular_function | RNA binding |
| D | 0004791 | molecular_function | thioredoxin-disulfide reductase (NADPH) activity |
| D | 0005515 | molecular_function | protein binding |
| D | 0005576 | cellular_component | extracellular region |
| D | 0005634 | cellular_component | nucleus |
| D | 0005654 | cellular_component | nucleoplasm |
| D | 0005737 | cellular_component | cytoplasm |
| D | 0005829 | cellular_component | cytosol |
| D | 0009314 | biological_process | response to radiation |
| D | 0015035 | molecular_function | protein-disulfide reductase activity |
| D | 0033138 | biological_process | positive regulation of peptidyl-serine phosphorylation |
| D | 0042803 | molecular_function | protein homodimerization activity |
| D | 0043388 | biological_process | positive regulation of DNA binding |
| D | 0045454 | biological_process | cell redox homeostasis |
| D | 0046826 | biological_process | negative regulation of protein export from nucleus |
| D | 0047134 | molecular_function | protein-disulfide reductase (NAD(P)H) activity |
| D | 0051897 | biological_process | positive regulation of phosphatidylinositol 3-kinase/protein kinase B signal transduction |
| D | 0055114 | biological_process | obsolete oxidation-reduction process |
| D | 0061692 | biological_process | cellular detoxification of hydrogen peroxide |
| D | 0070062 | cellular_component | extracellular exosome |
| D | 0071731 | biological_process | response to nitric oxide |
| D | 2000170 | biological_process | positive regulation of peptidyl-cysteine S-nitrosylation |
Functional Information from PDB Data
| site_id | AC1 |
| Number of Residues | 38 |
| Details | BINDING SITE FOR RESIDUE FAD A 600 |
| Chain | Residue |
| A | ILE18 |
| A | CYS59 |
| A | VAL62 |
| A | GLY63 |
| A | CYS64 |
| A | LYS67 |
| A | ALA130 |
| A | TYR131 |
| A | GLY132 |
| A | ALA160 |
| A | THR161 |
| A | GLY19 |
| A | GLY162 |
| A | SER180 |
| A | TYR200 |
| A | VAL201 |
| A | ARG293 |
| A | ILE300 |
| A | GLY333 |
| A | ASP334 |
| A | GLU341 |
| A | LEU342 |
| A | GLY21 |
| A | THR343 |
| A | PRO344 |
| A | HOH504 |
| A | HOH524 |
| A | HOH549 |
| A | HOH572 |
| A | HOH585 |
| A | HOH591 |
| B | HIS472 |
| A | SER22 |
| A | GLY23 |
| A | LEU41 |
| A | ASP42 |
| A | PHE43 |
| A | THR58 |
| site_id | AC2 |
| Number of Residues | 4 |
| Details | BINDING SITE FOR RESIDUE GOL A 801 |
| Chain | Residue |
| A | ASP231 |
| A | LYS235 |
| A | TYR405 |
| A | TYR422 |
| site_id | AC3 |
| Number of Residues | 6 |
| Details | BINDING SITE FOR RESIDUE GOL A 802 |
| Chain | Residue |
| A | GLU368 |
| A | ASN369 |
| A | GLY384 |
| A | LEU385 |
| A | HOH545 |
| A | HOH690 |
| site_id | AC4 |
| Number of Residues | 7 |
| Details | BINDING SITE FOR RESIDUE GOL A 804 |
| Chain | Residue |
| A | GLN258 |
| A | ASN428 |
| A | LYS430 |
| A | ASP431 |
| A | ARG434 |
| A | HOH578 |
| A | HOH598 |
| site_id | AC5 |
| Number of Residues | 4 |
| Details | BINDING SITE FOR RESIDUE GOL A 803 |
| Chain | Residue |
| A | GLU387 |
| A | ILE399 |
| A | LYS486 |
| A | ARG487 |
| site_id | AC6 |
| Number of Residues | 38 |
| Details | BINDING SITE FOR RESIDUE FAD B 600 |
| Chain | Residue |
| A | HIS472 |
| B | ILE18 |
| B | GLY19 |
| B | GLY21 |
| B | SER22 |
| B | GLY23 |
| B | LEU41 |
| B | ASP42 |
| B | PHE43 |
| B | GLY57 |
| B | THR58 |
| B | CYS59 |
| B | VAL62 |
| B | GLY63 |
| B | CYS64 |
| B | LYS67 |
| B | TYR131 |
| B | GLY132 |
| B | ALA160 |
| B | THR161 |
| B | GLY162 |
| B | TYR200 |
| B | VAL201 |
| B | ARG293 |
| B | ILE300 |
| B | GLY333 |
| B | ASP334 |
| B | GLU341 |
| B | LEU342 |
| B | THR343 |
| B | PRO344 |
| B | HOH509 |
| B | HOH520 |
| B | HOH521 |
| B | HOH536 |
| B | HOH542 |
| B | HOH591 |
| B | HOH602 |
| site_id | AC7 |
| Number of Residues | 4 |
| Details | BINDING SITE FOR RESIDUE GOL B 804 |
| Chain | Residue |
| B | ASN432 |
| B | ARG434 |
| B | LYS430 |
| B | ASP431 |
| site_id | AC8 |
| Number of Residues | 8 |
| Details | BINDING SITE FOR RESIDUE GOL D 803 |
| Chain | Residue |
| D | ASP26 |
| D | SER28 |
| D | ALA29 |
| D | THR30 |
| D | SER35 |
| D | LYS36 |
| D | LYS39 |
| D | GLU56 |
Functional Information from PROSITE/UniProt
| site_id | PS00076 |
| Number of Residues | 11 |
| Details | PYRIDINE_REDOX_1 Pyridine nucleotide-disulphide oxidoreductases class-I active site. GGtCVnvGCIP |
| Chain | Residue | Details |
| A | GLY56-PRO66 |
Functional Information from SwissProt/UniProt
| site_id | SWS_FT_FI1 |
| Number of Residues | 4 |
| Details | ACT_SITE: Nucleophile => ECO:0000269|PubMed:9108029 |
| Chain | Residue | Details |
| C | CYS32 | |
| A | LEU465 | |
| A | VAL484 | |
| B | GLY172 | |
| B | LYS192 | |
| B | PHE208 | |
| B | GLY213 | |
| B | GLU281 | |
| B | ILE316 | |
| B | GLN348 | |
| B | PRO371 | |
| C | SER35 | |
| B | GLY442 | |
| B | LEU465 | |
| B | VAL484 | |
| D | CYS32 | |
| D | SER35 | |
| A | GLU281 | |
| A | ILE316 | |
| A | GLN348 | |
| A | PRO371 | |
| A | GLY442 |
| site_id | SWS_FT_FI2 |
| Number of Residues | 2 |
| Details | SITE: Deprotonates C-terminal active site Cys => ECO:0000305 |
| Chain | Residue | Details |
| C | ASP26 | |
| D | ASP26 | |
| B | GLU311 | |
| B | SER491 |
| site_id | SWS_FT_FI3 |
| Number of Residues | 4 |
| Details | SITE: Contributes to redox potential value => ECO:0000305 |
| Chain | Residue | Details |
| C | GLY33 | |
| C | PRO34 | |
| D | GLY33 | |
| D | PRO34 |
| site_id | SWS_FT_FI4 |
| Number of Residues | 4 |
| Details | MOD_RES: N6-acetyllysine => ECO:0007744|PubMed:19608861 |
| Chain | Residue | Details |
| C | LYS3 | |
| C | LYS39 | |
| D | LYS3 | |
| D | LYS39 |
| site_id | SWS_FT_FI5 |
| Number of Residues | 2 |
| Details | MOD_RES: N6-succinyllysine => ECO:0000250|UniProtKB:P10639 |
| Chain | Residue | Details |
| C | LYS8 | |
| D | LYS8 |
| site_id | SWS_FT_FI6 |
| Number of Residues | 4 |
| Details | MOD_RES: S-nitrosocysteine => ECO:0000269|PubMed:17260951 |
| Chain | Residue | Details |
| C | CYS62 | |
| C | CYS69 | |
| D | CYS62 | |
| D | CYS69 |
| site_id | SWS_FT_FI7 |
| Number of Residues | 2 |
| Details | MOD_RES: S-nitrosocysteine; alternate => ECO:0000269|PubMed:16408020, ECO:0000269|PubMed:17606900 |
| Chain | Residue | Details |
| C | SER73 | |
| D | SER73 |
| site_id | SWS_FT_FI8 |
| Number of Residues | 2 |
| Details | MOD_RES: N6-succinyllysine; alternate => ECO:0000250|UniProtKB:P10639 |
| Chain | Residue | Details |
| C | LYS94 | |
| D | LYS94 |
