3QSS
Crystal structure for the MSOX.chloride.MTA ternary complex
Functional Information from GO Data
| Chain | GOid | namespace | contents |
| A | 0005737 | cellular_component | cytoplasm |
| A | 0008115 | molecular_function | sarcosine oxidase activity |
| A | 0016491 | molecular_function | oxidoreductase activity |
| A | 0050660 | molecular_function | flavin adenine dinucleotide binding |
| B | 0005737 | cellular_component | cytoplasm |
| B | 0008115 | molecular_function | sarcosine oxidase activity |
| B | 0016491 | molecular_function | oxidoreductase activity |
| B | 0050660 | molecular_function | flavin adenine dinucleotide binding |
Functional Information from PDB Data
| site_id | AC1 |
| Number of Residues | 42 |
| Details | BINDING SITE FOR RESIDUE FAD A 400 |
| Chain | Residue |
| A | GLY10 |
| A | GLY42 |
| A | SER43 |
| A | HIS44 |
| A | ARG49 |
| A | ILE50 |
| A | THR171 |
| A | ARG172 |
| A | VAL173 |
| A | SER200 |
| A | MET201 |
| A | GLY12 |
| A | GLY202 |
| A | TRP204 |
| A | LEU208 |
| A | VAL225 |
| A | TYR254 |
| A | CYS315 |
| A | MET316 |
| A | TYR317 |
| A | PHE342 |
| A | GLY344 |
| A | SER13 |
| A | HIS345 |
| A | GLY346 |
| A | PHE347 |
| A | LYS348 |
| A | CL403 |
| A | CL404 |
| A | MTG405 |
| A | HOH1040 |
| A | HOH1070 |
| A | HOH1073 |
| A | MET14 |
| A | HOH1088 |
| A | HOH1092 |
| A | HOH1324 |
| A | VAL32 |
| A | ASP33 |
| A | ALA34 |
| A | PHE35 |
| A | HIS39 |
| site_id | AC2 |
| Number of Residues | 6 |
| Details | BINDING SITE FOR RESIDUE CL A 403 |
| Chain | Residue |
| A | TYR317 |
| A | THR318 |
| A | SER343 |
| A | GLY344 |
| A | FAD400 |
| A | HOH1081 |
| site_id | AC3 |
| Number of Residues | 8 |
| Details | BINDING SITE FOR RESIDUE CL A 404 |
| Chain | Residue |
| A | HIS45 |
| A | GLY46 |
| A | ARG49 |
| A | VAL225 |
| A | LYS265 |
| A | FAD400 |
| A | HOH1088 |
| A | HOH1367 |
| site_id | AC4 |
| Number of Residues | 8 |
| Details | BINDING SITE FOR RESIDUE MTG A 405 |
| Chain | Residue |
| A | ILE50 |
| A | ARG52 |
| A | MET245 |
| A | HIS269 |
| A | TYR317 |
| A | GLY344 |
| A | LYS348 |
| A | FAD400 |
| site_id | AC5 |
| Number of Residues | 40 |
| Details | BINDING SITE FOR RESIDUE FAD B 400 |
| Chain | Residue |
| B | HOH1039 |
| B | HOH1045 |
| B | HOH1117 |
| B | HOH1231 |
| B | HOH1320 |
| B | GLY10 |
| B | GLY12 |
| B | SER13 |
| B | MET14 |
| B | VAL32 |
| B | ASP33 |
| B | ALA34 |
| B | PHE35 |
| B | HIS39 |
| B | GLY42 |
| B | SER43 |
| B | HIS44 |
| B | ARG49 |
| B | ILE50 |
| B | ARG172 |
| B | VAL173 |
| B | SER200 |
| B | MET201 |
| B | GLY202 |
| B | TRP204 |
| B | LEU208 |
| B | VAL225 |
| B | TYR254 |
| B | CYS315 |
| B | MET316 |
| B | TYR317 |
| B | PHE342 |
| B | GLY344 |
| B | HIS345 |
| B | GLY346 |
| B | PHE347 |
| B | LYS348 |
| B | CL403 |
| B | CL404 |
| B | MTG405 |
| site_id | AC6 |
| Number of Residues | 4 |
| Details | BINDING SITE FOR RESIDUE CL B 403 |
| Chain | Residue |
| B | TYR317 |
| B | THR318 |
| B | GLY344 |
| B | FAD400 |
| site_id | AC7 |
| Number of Residues | 6 |
| Details | BINDING SITE FOR RESIDUE CL B 404 |
| Chain | Residue |
| B | HIS45 |
| B | GLY46 |
| B | ARG49 |
| B | VAL225 |
| B | LYS265 |
| B | FAD400 |
| site_id | AC8 |
| Number of Residues | 9 |
| Details | BINDING SITE FOR RESIDUE MTG B 405 |
| Chain | Residue |
| B | ILE50 |
| B | ARG52 |
| B | MET245 |
| B | TYR254 |
| B | HIS269 |
| B | TYR317 |
| B | GLY344 |
| B | LYS348 |
| B | FAD400 |
Functional Information from SwissProt/UniProt
| site_id | SWS_FT_FI1 |
| Number of Residues | 60 |
| Details | Binding site: {"evidences":[{"evidenceCode":"ECO:0000255"}]} |
| Chain | Residue | Details |
| site_id | SWS_FT_FI2 |
| Number of Residues | 2 |
| Details | Modified residue: {"description":"S-8alpha-FAD cysteine"} |
| Chain | Residue | Details |
Catalytic Information from CSA
| site_id | MCSA1 |
| Number of Residues | 7 |
| Details | M-CSA 113 |
| Chain | Residue | Details |
| A | HIS45 | electrostatic stabiliser |
| A | THR48 | hydrogen bond acceptor, hydrogen bond donor, proton acceptor, proton donor, proton relay |
| A | ARG49 | electrostatic stabiliser, modifies pKa |
| A | LYS265 | hydrogen bond donor, proton acceptor, proton donor, proton relay |
| A | HIS269 | hydrogen bond acceptor, hydrogen bond donor, proton acceptor, proton donor |
| A | CYS315 | activator, alter redox potential, covalently attached |
| A | LYS348 | electrostatic stabiliser, hydrogen bond donor |
| site_id | MCSA2 |
| Number of Residues | 7 |
| Details | M-CSA 113 |
| Chain | Residue | Details |
| B | HIS45 | electrostatic stabiliser |
| B | THR48 | hydrogen bond acceptor, hydrogen bond donor, proton acceptor, proton donor, proton relay |
| B | ARG49 | electrostatic stabiliser, modifies pKa |
| B | LYS265 | hydrogen bond donor, proton acceptor, proton donor, proton relay |
| B | HIS269 | hydrogen bond acceptor, hydrogen bond donor, proton acceptor, proton donor |
| B | CYS315 | activator, alter redox potential, covalently attached |
| B | LYS348 | electrostatic stabiliser, hydrogen bond donor |
