3II4
Structure of mycobacterial lipoamide dehydrogenase bound to a triazaspirodimethoxybenzoyl inhibitor
Functional Information from GO Data
| Chain | GOid | namespace | contents |
| A | 0004148 | molecular_function | dihydrolipoyl dehydrogenase (NADH) activity |
| A | 0004591 | molecular_function | oxoglutarate dehydrogenase (succinyl-transferring) activity |
| A | 0005515 | molecular_function | protein binding |
| A | 0005576 | cellular_component | extracellular region |
| A | 0005737 | cellular_component | cytoplasm |
| A | 0005829 | cellular_component | cytosol |
| A | 0005886 | cellular_component | plasma membrane |
| A | 0006103 | biological_process | 2-oxoglutarate metabolic process |
| A | 0015036 | molecular_function | disulfide oxidoreductase activity |
| A | 0016209 | molecular_function | antioxidant activity |
| A | 0016491 | molecular_function | oxidoreductase activity |
| A | 0016655 | molecular_function | oxidoreductase activity, acting on NAD(P)H, quinone or similar compound as acceptor |
| A | 0016668 | molecular_function | oxidoreductase activity, acting on a sulfur group of donors, NAD(P) as acceptor |
| A | 0035375 | molecular_function | zymogen binding |
| A | 0045254 | cellular_component | pyruvate dehydrogenase complex |
| A | 0045454 | biological_process | cell redox homeostasis |
| A | 0050660 | molecular_function | flavin adenine dinucleotide binding |
| A | 0070404 | molecular_function | NADH binding |
| A | 0098869 | biological_process | cellular oxidant detoxification |
| B | 0004148 | molecular_function | dihydrolipoyl dehydrogenase (NADH) activity |
| B | 0004591 | molecular_function | oxoglutarate dehydrogenase (succinyl-transferring) activity |
| B | 0005515 | molecular_function | protein binding |
| B | 0005576 | cellular_component | extracellular region |
| B | 0005737 | cellular_component | cytoplasm |
| B | 0005829 | cellular_component | cytosol |
| B | 0005886 | cellular_component | plasma membrane |
| B | 0006103 | biological_process | 2-oxoglutarate metabolic process |
| B | 0015036 | molecular_function | disulfide oxidoreductase activity |
| B | 0016209 | molecular_function | antioxidant activity |
| B | 0016491 | molecular_function | oxidoreductase activity |
| B | 0016655 | molecular_function | oxidoreductase activity, acting on NAD(P)H, quinone or similar compound as acceptor |
| B | 0016668 | molecular_function | oxidoreductase activity, acting on a sulfur group of donors, NAD(P) as acceptor |
| B | 0035375 | molecular_function | zymogen binding |
| B | 0045254 | cellular_component | pyruvate dehydrogenase complex |
| B | 0045454 | biological_process | cell redox homeostasis |
| B | 0050660 | molecular_function | flavin adenine dinucleotide binding |
| B | 0070404 | molecular_function | NADH binding |
| B | 0098869 | biological_process | cellular oxidant detoxification |
Functional Information from PDB Data
| site_id | AC1 |
| Number of Residues | 37 |
| Details | BINDING SITE FOR RESIDUE FAD A 480 |
| Chain | Residue |
| A | LEU9 |
| A | GLY39 |
| A | VAL40 |
| A | CYS41 |
| A | CYS46 |
| A | LYS50 |
| A | TYR112 |
| A | GLY113 |
| A | ALA141 |
| A | THR142 |
| A | GLY143 |
| A | GLY10 |
| A | TYR161 |
| A | TYR276 |
| A | GLY308 |
| A | ASP309 |
| A | GLN315 |
| A | LEU316 |
| A | ALA317 |
| A | HIS318 |
| A | ALA320 |
| A | 3II465 |
| A | GLY12 |
| A | HOH467 |
| A | HOH468 |
| A | HOH488 |
| A | HOH496 |
| A | HOH563 |
| A | HOH838 |
| B | HIS443 |
| B | PRO444 |
| A | PRO13 |
| A | GLY14 |
| A | VAL32 |
| A | GLU33 |
| A | PRO34 |
| A | TYR36 |
| site_id | AC2 |
| Number of Residues | 20 |
| Details | BINDING SITE FOR RESIDUE 3II A 465 |
| Chain | Residue |
| A | LYS50 |
| A | ARG147 |
| A | ALA181 |
| A | ILE182 |
| A | GLU185 |
| A | ASN209 |
| A | GLU210 |
| A | PHE269 |
| A | ARG288 |
| A | ALA290 |
| A | GLY312 |
| A | LEU313 |
| A | LEU314 |
| A | GLN315 |
| A | LEU316 |
| A | ARG347 |
| A | ALA348 |
| A | PHE350 |
| A | FAD480 |
| A | HOH573 |
| site_id | AC3 |
| Number of Residues | 37 |
| Details | BINDING SITE FOR RESIDUE FAD B 580 |
| Chain | Residue |
| A | HIS443 |
| A | PRO444 |
| B | LEU9 |
| B | GLY10 |
| B | GLY12 |
| B | PRO13 |
| B | GLY14 |
| B | VAL32 |
| B | GLU33 |
| B | PRO34 |
| B | TYR36 |
| B | GLY39 |
| B | VAL40 |
| B | CYS41 |
| B | CYS46 |
| B | LYS50 |
| B | TYR112 |
| B | GLY113 |
| B | ALA141 |
| B | THR142 |
| B | GLY143 |
| B | TYR161 |
| B | ILE182 |
| B | TYR276 |
| B | GLY308 |
| B | ASP309 |
| B | GLN315 |
| B | LEU316 |
| B | ALA317 |
| B | HIS318 |
| B | 3II465 |
| B | HOH470 |
| B | HOH480 |
| B | HOH481 |
| B | HOH484 |
| B | HOH575 |
| B | HOH822 |
| site_id | AC4 |
| Number of Residues | 18 |
| Details | BINDING SITE FOR RESIDUE 3II B 465 |
| Chain | Residue |
| B | GLU210 |
| B | PRO271 |
| B | ARG288 |
| B | GLY312 |
| B | LEU313 |
| B | LEU314 |
| B | GLN315 |
| B | LEU316 |
| B | ARG347 |
| B | ALA348 |
| B | PHE350 |
| B | FAD580 |
| B | HOH820 |
| B | LYS50 |
| B | ALA181 |
| B | ILE182 |
| B | GLU185 |
| B | ASN209 |
Functional Information from PROSITE/UniProt
| site_id | PS00076 |
| Number of Residues | 11 |
| Details | PYRIDINE_REDOX_1 Pyridine nucleotide-disulphide oxidoreductases class-I active site. GGvCLnvGCIP |
| Chain | Residue | Details |
| A | GLY38-PRO48 |
Functional Information from SwissProt/UniProt
| site_id | SWS_FT_FI1 |
| Number of Residues | 2 |
| Details | Active site: {"description":"Proton acceptor","evidences":[{"evidenceCode":"ECO:0000250"}]} |
| Chain | Residue | Details |
| site_id | SWS_FT_FI2 |
| Number of Residues | 22 |
| Details | Binding site: {"evidences":[{"source":"PubMed","id":"16093239","evidenceCode":"ECO:0000269"},{"source":"PubMed","id":"20078138","evidenceCode":"ECO:0000269"}]} |
| Chain | Residue | Details |
| site_id | SWS_FT_FI3 |
| Number of Residues | 18 |
| Details | Binding site: {"evidences":[{"evidenceCode":"ECO:0000250"}]} |
| Chain | Residue | Details |
