2VYX
Crystal structure of the T. thermophilus dodecin W38F mutant
Functional Information from GO Data
| Chain | GOid | namespace | contents |
| A | 0000166 | molecular_function | nucleotide binding |
| B | 0000166 | molecular_function | nucleotide binding |
| C | 0000166 | molecular_function | nucleotide binding |
| D | 0000166 | molecular_function | nucleotide binding |
| E | 0000166 | molecular_function | nucleotide binding |
| F | 0000166 | molecular_function | nucleotide binding |
| G | 0000166 | molecular_function | nucleotide binding |
| H | 0000166 | molecular_function | nucleotide binding |
| I | 0000166 | molecular_function | nucleotide binding |
| J | 0000166 | molecular_function | nucleotide binding |
| K | 0000166 | molecular_function | nucleotide binding |
| L | 0000166 | molecular_function | nucleotide binding |
Functional Information from PDB Data
| site_id | AC1 |
| Number of Residues | 10 |
| Details | BINDING SITE FOR RESIDUE FMN A 1070 |
| Chain | Residue |
| A | TYR5 |
| B | GLN57 |
| A | ASP37 |
| A | PHE38 |
| A | ARG65 |
| A | FMN1072 |
| A | HOH2023 |
| A | HOH2036 |
| B | ARG45 |
| B | THR47 |
| site_id | AC2 |
| Number of Residues | 20 |
| Details | BINDING SITE FOR RESIDUE COA A 1071 |
| Chain | Residue |
| A | ARG28 |
| A | THR32 |
| A | ARG34 |
| A | HIS35 |
| A | PHE64 |
| A | ARG65 |
| A | LEU66 |
| A | GLU67 |
| A | COA1073 |
| A | HOH2037 |
| A | HOH2038 |
| A | HOH2039 |
| H | LYS6 |
| L | LYS6 |
| L | VAL8 |
| L | ARG28 |
| L | LEU33 |
| L | PHE64 |
| L | LEU66 |
| L | COA1068 |
| site_id | AC3 |
| Number of Residues | 13 |
| Details | BINDING SITE FOR RESIDUE FMN A 1072 |
| Chain | Residue |
| A | FMN1070 |
| A | HOH2040 |
| A | HOH2041 |
| A | HOH2042 |
| B | GLN57 |
| G | LYS3 |
| G | TYR5 |
| G | ASP37 |
| G | PHE38 |
| G | ARG65 |
| H | ARG45 |
| H | THR47 |
| H | GLN57 |
| site_id | AC4 |
| Number of Residues | 18 |
| Details | BINDING SITE FOR RESIDUE COA A 1073 |
| Chain | Residue |
| A | LYS6 |
| A | VAL8 |
| A | LEU33 |
| A | PHE64 |
| A | LEU66 |
| A | COA1071 |
| F | GLU16 |
| H | ARG28 |
| H | THR32 |
| H | LEU33 |
| H | ARG34 |
| H | HIS35 |
| H | PHE64 |
| H | ARG65 |
| H | GLU67 |
| L | LYS6 |
| L | LEU66 |
| L | COA1068 |
| site_id | AC5 |
| Number of Residues | 4 |
| Details | BINDING SITE FOR RESIDUE CL A 1074 |
| Chain | Residue |
| A | LYS6 |
| A | HOH2002 |
| H | LYS6 |
| L | LYS6 |
| site_id | AC6 |
| Number of Residues | 12 |
| Details | BINDING SITE FOR RESIDUE FMN B 1068 |
| Chain | Residue |
| B | LYS3 |
| B | TYR5 |
| B | ASP37 |
| B | PHE38 |
| B | ARG65 |
| B | FMN1070 |
| B | HOH2045 |
| C | ARG45 |
| C | THR47 |
| C | GLN57 |
| F | VAL11 |
| F | GLN57 |
| site_id | AC7 |
| Number of Residues | 18 |
| Details | BINDING SITE FOR RESIDUE COA B 1069 |
| Chain | Residue |
| B | ARG28 |
| B | THR32 |
| B | LEU33 |
| B | ARG34 |
| B | HIS35 |
| B | PHE64 |
| B | ARG65 |
| B | GLU67 |
| B | HOH2047 |
| B | HOH2048 |
| B | HOH2050 |
| F | LYS6 |
| F | LEU66 |
| F | COA1071 |
| G | LYS6 |
| G | VAL8 |
| G | LEU66 |
| G | COA1070 |
| site_id | AC8 |
| Number of Residues | 11 |
| Details | BINDING SITE FOR RESIDUE FMN B 1070 |
| Chain | Residue |
| E | TYR5 |
| E | ASP37 |
| E | PHE38 |
| E | ARG65 |
| F | ARG45 |
| F | THR47 |
| F | GLN57 |
| B | FMN1068 |
| B | HOH2051 |
| C | VAL11 |
| E | LYS3 |
| site_id | AC9 |
| Number of Residues | 3 |
| Details | BINDING SITE FOR RESIDUE CL B 1071 |
| Chain | Residue |
| B | LYS6 |
| F | LYS6 |
| G | LYS6 |
| site_id | BC1 |
| Number of Residues | 11 |
| Details | BINDING SITE FOR RESIDUE FMN C 1070 |
| Chain | Residue |
| A | ARG45 |
| A | THR47 |
| A | GLN57 |
| C | TYR5 |
| C | ASP37 |
| C | PHE38 |
| C | ARG65 |
| C | FMN1072 |
| C | HOH2021 |
| C | HOH2044 |
| J | GLN57 |
| site_id | BC2 |
| Number of Residues | 22 |
| Details | BINDING SITE FOR RESIDUE COA C 1071 |
| Chain | Residue |
| C | ARG28 |
| C | THR32 |
| C | ARG34 |
| C | HIS35 |
| C | PHE64 |
| C | ARG65 |
| C | LEU66 |
| C | GLU67 |
| C | HOH2045 |
| C | HOH2046 |
| C | HOH2047 |
| C | HOH2048 |
| C | HOH2049 |
| E | LYS6 |
| E | VAL8 |
| E | ARG28 |
| E | LEU33 |
| E | LEU66 |
| E | COA1070 |
| J | LYS6 |
| J | LEU66 |
| J | COA1070 |
| site_id | BC3 |
| Number of Residues | 14 |
| Details | BINDING SITE FOR RESIDUE FMN C 1072 |
| Chain | Residue |
| A | GLN57 |
| C | FMN1070 |
| C | HOH2050 |
| C | HOH2051 |
| C | HOH2052 |
| J | ARG45 |
| J | THR47 |
| J | GLN57 |
| L | LYS3 |
| L | TYR5 |
| L | ASP37 |
| L | PHE38 |
| L | ARG65 |
| L | HOH2010 |
| site_id | BC4 |
| Number of Residues | 3 |
| Details | BINDING SITE FOR RESIDUE CL C 1073 |
| Chain | Residue |
| C | LYS6 |
| E | LYS6 |
| J | LYS6 |
| site_id | BC5 |
| Number of Residues | 15 |
| Details | BINDING SITE FOR RESIDUE FMN D 1070 |
| Chain | Residue |
| D | LYS3 |
| D | TYR5 |
| D | ASP37 |
| D | PHE38 |
| D | ARG65 |
| D | FMN1072 |
| D | HOH2026 |
| D | HOH2048 |
| D | HOH2049 |
| D | HOH2050 |
| D | HOH2051 |
| E | ARG45 |
| E | THR47 |
| E | GLN57 |
| K | GLN57 |
| site_id | BC6 |
| Number of Residues | 17 |
| Details | BINDING SITE FOR RESIDUE COA D 1071 |
| Chain | Residue |
| D | ARG28 |
| D | THR32 |
| D | ARG34 |
| D | ARG65 |
| D | LEU66 |
| D | GLU67 |
| D | HOH2021 |
| D | HOH2054 |
| I | LYS6 |
| I | VAL8 |
| I | PHE64 |
| I | LEU66 |
| I | COA1070 |
| K | LYS6 |
| K | COA1070 |
| K | HOH2018 |
| K | HOH2032 |
| site_id | BC7 |
| Number of Residues | 13 |
| Details | BINDING SITE FOR RESIDUE FMN D 1072 |
| Chain | Residue |
| D | FMN1070 |
| D | HOH2055 |
| D | HOH2056 |
| E | ARG45 |
| E | GLN57 |
| J | TYR5 |
| J | ASP37 |
| J | PHE38 |
| J | ARG65 |
| J | HOH2021 |
| K | ARG45 |
| K | THR47 |
| K | GLN57 |
| site_id | BC8 |
| Number of Residues | 3 |
| Details | BINDING SITE FOR RESIDUE CL D 1073 |
| Chain | Residue |
| D | LYS6 |
| I | LYS6 |
| K | LYS6 |
| site_id | BC9 |
| Number of Residues | 22 |
| Details | BINDING SITE FOR RESIDUE COA E 1070 |
| Chain | Residue |
| B | HIS35 |
| B | ARG65 |
| B | HOH2040 |
| C | LYS6 |
| C | COA1071 |
| E | ARG28 |
| E | THR32 |
| E | LEU33 |
| E | ARG34 |
| E | HIS35 |
| E | PHE64 |
| E | ARG65 |
| E | GLU67 |
| E | HOH2015 |
| E | HOH2042 |
| E | HOH2043 |
| J | LYS6 |
| J | VAL8 |
| J | LEU33 |
| J | PHE64 |
| J | LEU66 |
| J | COA1070 |
| site_id | CC1 |
| Number of Residues | 14 |
| Details | BINDING SITE FOR RESIDUE FMN F 1070 |
| Chain | Residue |
| D | ARG45 |
| D | THR47 |
| D | GLN57 |
| F | LYS3 |
| F | TYR5 |
| F | ASP37 |
| F | PHE38 |
| F | ARG65 |
| F | FMN1072 |
| F | HOH2021 |
| F | HOH2024 |
| F | HOH2042 |
| F | HOH2044 |
| G | GLN57 |
| site_id | CC2 |
| Number of Residues | 20 |
| Details | BINDING SITE FOR RESIDUE COA F 1071 |
| Chain | Residue |
| B | LYS6 |
| B | VAL8 |
| B | ALA29 |
| B | LEU66 |
| B | COA1069 |
| B | HOH2047 |
| F | ARG28 |
| F | THR32 |
| F | LEU33 |
| F | ARG34 |
| F | HIS35 |
| F | ARG65 |
| F | LEU66 |
| F | GLU67 |
| F | HOH2013 |
| F | HOH2023 |
| F | HOH2046 |
| G | LYS6 |
| G | LEU66 |
| G | COA1070 |
| site_id | CC3 |
| Number of Residues | 15 |
| Details | BINDING SITE FOR RESIDUE FMN F 1072 |
| Chain | Residue |
| D | GLN57 |
| F | FMN1070 |
| F | HOH2047 |
| F | HOH2048 |
| F | HOH2049 |
| F | HOH2050 |
| F | HOH2052 |
| G | ARG45 |
| G | THR47 |
| G | GLN57 |
| I | TYR5 |
| I | ASP37 |
| I | PHE38 |
| I | ARG65 |
| I | HOH2022 |
| site_id | CC4 |
| Number of Residues | 3 |
| Details | BINDING SITE FOR RESIDUE NA F 1073 |
| Chain | Residue |
| D | HOH2031 |
| D | HOH2039 |
| F | HOH2044 |
| site_id | CC5 |
| Number of Residues | 23 |
| Details | BINDING SITE FOR RESIDUE COA G 1070 |
| Chain | Residue |
| B | LYS6 |
| B | LEU66 |
| B | COA1069 |
| B | HOH2030 |
| D | ARG65 |
| F | LYS6 |
| F | VAL8 |
| F | LEU33 |
| F | PHE64 |
| F | LEU66 |
| F | COA1071 |
| G | ARG28 |
| G | THR32 |
| G | LEU33 |
| G | ARG34 |
| G | HIS35 |
| G | PHE64 |
| G | ARG65 |
| G | LEU66 |
| G | GLU67 |
| G | HOH2048 |
| G | HOH2049 |
| G | HOH2050 |
| site_id | CC6 |
| Number of Residues | 15 |
| Details | BINDING SITE FOR RESIDUE FMN H 1070 |
| Chain | Residue |
| C | HIS35 |
| H | TYR5 |
| H | ASP37 |
| H | PHE38 |
| H | ARG65 |
| H | FMN1071 |
| H | HOH2032 |
| H | HOH2033 |
| H | HOH2034 |
| H | HOH2035 |
| I | ARG45 |
| I | THR47 |
| I | GLN57 |
| I | HOH2028 |
| L | GLN57 |
| site_id | CC7 |
| Number of Residues | 13 |
| Details | BINDING SITE FOR RESIDUE FMN H 1071 |
| Chain | Residue |
| H | FMN1070 |
| H | HOH2036 |
| H | HOH2037 |
| I | GLN57 |
| K | LYS3 |
| K | TYR5 |
| K | ASP37 |
| K | PHE38 |
| K | ARG65 |
| K | HOH2017 |
| L | ARG45 |
| L | THR47 |
| L | GLN57 |
| site_id | CC8 |
| Number of Residues | 19 |
| Details | BINDING SITE FOR RESIDUE COA I 1070 |
| Chain | Residue |
| D | LYS6 |
| D | COA1071 |
| D | HOH2006 |
| I | ARG28 |
| I | THR32 |
| I | LEU33 |
| I | ARG34 |
| I | HIS35 |
| I | PHE64 |
| I | ARG65 |
| I | GLU67 |
| I | HOH2043 |
| K | LYS6 |
| K | VAL8 |
| K | LEU10 |
| K | LEU33 |
| K | PHE64 |
| K | LEU66 |
| K | COA1070 |
| site_id | CC9 |
| Number of Residues | 18 |
| Details | BINDING SITE FOR RESIDUE COA J 1070 |
| Chain | Residue |
| C | LYS6 |
| C | VAL8 |
| C | ALA29 |
| C | LEU33 |
| C | PHE64 |
| C | LEU66 |
| C | COA1071 |
| E | LYS6 |
| E | LEU66 |
| E | COA1070 |
| J | ARG28 |
| J | THR32 |
| J | LEU33 |
| J | ARG34 |
| J | HIS35 |
| J | ARG65 |
| J | GLU67 |
| J | HOH2042 |
| site_id | DC1 |
| Number of Residues | 17 |
| Details | BINDING SITE FOR RESIDUE COA K 1070 |
| Chain | Residue |
| D | LYS6 |
| D | VAL8 |
| D | ARG28 |
| D | PHE64 |
| D | LEU66 |
| D | COA1071 |
| I | LYS6 |
| I | COA1070 |
| K | ARG28 |
| K | THR32 |
| K | ARG34 |
| K | HIS35 |
| K | PHE64 |
| K | ARG65 |
| K | GLU67 |
| K | HOH2033 |
| K | HOH2034 |
| site_id | DC2 |
| Number of Residues | 18 |
| Details | BINDING SITE FOR RESIDUE COA L 1068 |
| Chain | Residue |
| A | LYS6 |
| A | LEU66 |
| A | COA1071 |
| A | COA1073 |
| A | HOH2038 |
| D | ALA51 |
| H | LYS6 |
| H | VAL8 |
| H | PHE64 |
| H | LEU66 |
| L | ARG28 |
| L | THR32 |
| L | ARG34 |
| L | HIS35 |
| L | PHE64 |
| L | ARG65 |
| L | GLU67 |
| L | HOH2027 |
Functional Information from SwissProt/UniProt
| site_id | SWS_FT_FI1 |
| Number of Residues | 72 |
| Details | Binding site: {"description":"in other chain","evidences":[{"source":"Reference","evidenceCode":"ECO:0000269","citation":{"citationType":"submission","publicationDate":"JUL-2008","submissionDatabase":"PDB data bank","title":"Ultrafast charge transfer dynamics in flavoprotein dodecin.","authors":["Gurzadyan G.G.","Meissner B.","Sander B.","Essen L.-O.","Michel-Beyerle M.E."]}}]} |
| Chain | Residue | Details |
| site_id | SWS_FT_FI2 |
| Number of Residues | 36 |
| Details | Binding site: {"evidences":[{"source":"Reference","evidenceCode":"ECO:0000269","citation":{"citationType":"submission","publicationDate":"JUL-2008","submissionDatabase":"PDB data bank","title":"Ultrafast charge transfer dynamics in flavoprotein dodecin.","authors":["Gurzadyan G.G.","Meissner B.","Sander B.","Essen L.-O.","Michel-Beyerle M.E."]}}]} |
| Chain | Residue | Details |
| site_id | SWS_FT_FI3 |
| Number of Residues | 48 |
| Details | Binding site: {"description":"in other chain"} |
| Chain | Residue | Details |
| site_id | SWS_FT_FI4 |
| Number of Residues | 12 |
| Details | Site: {"description":"May be important for ligand binding specificity and FMN binding"} |
| Chain | Residue | Details |
