6Z74
Structure of the transcriptional repressor Atu1419 (VanR) in complex with a fortuitous citrate from agrobacterium fabrum
Functional Information from GO Data
| Chain | GOid | namespace | contents |
| A | 0003677 | molecular_function | DNA binding |
| A | 0003700 | molecular_function | DNA-binding transcription factor activity |
| A | 0006355 | biological_process | regulation of DNA-templated transcription |
| A | 0046872 | molecular_function | metal ion binding |
| B | 0003677 | molecular_function | DNA binding |
| B | 0003700 | molecular_function | DNA-binding transcription factor activity |
| B | 0006355 | biological_process | regulation of DNA-templated transcription |
| B | 0046872 | molecular_function | metal ion binding |
| C | 0003677 | molecular_function | DNA binding |
| C | 0003700 | molecular_function | DNA-binding transcription factor activity |
| C | 0006355 | biological_process | regulation of DNA-templated transcription |
| C | 0046872 | molecular_function | metal ion binding |
| D | 0003677 | molecular_function | DNA binding |
| D | 0003700 | molecular_function | DNA-binding transcription factor activity |
| D | 0006355 | biological_process | regulation of DNA-templated transcription |
| D | 0046872 | molecular_function | metal ion binding |
Functional Information from PDB Data
| site_id | AC1 |
| Number of Residues | 5 |
| Details | binding site for residue ZN A 301 |
| Chain | Residue |
| A | ASN137 |
| A | HIS141 |
| A | HIS192 |
| A | HIS214 |
| A | CIT302 |
| site_id | AC2 |
| Number of Residues | 15 |
| Details | binding site for residue CIT A 302 |
| Chain | Residue |
| A | PRO168 |
| A | SER169 |
| A | LYS175 |
| A | PHE181 |
| A | ARG183 |
| A | ALA188 |
| A | HIS192 |
| A | HIS214 |
| A | ALA218 |
| A | ASN221 |
| A | ZN301 |
| A | ARG86 |
| A | TYR133 |
| A | ASN137 |
| A | HIS141 |
| site_id | AC3 |
| Number of Residues | 7 |
| Details | binding site for residue GOL A 303 |
| Chain | Residue |
| A | VAL125 |
| A | PHE130 |
| A | PHE181 |
| A | SER184 |
| A | LEU185 |
| A | ARG186 |
| A | HOH467 |
| site_id | AC4 |
| Number of Residues | 7 |
| Details | binding site for residue EDO A 304 |
| Chain | Residue |
| A | ARG183 |
| A | GLN191 |
| A | GLU213 |
| A | HOH437 |
| D | GLU190 |
| D | ALA194 |
| D | VAL210 |
| site_id | AC5 |
| Number of Residues | 5 |
| Details | binding site for residue EDO A 305 |
| Chain | Residue |
| A | ARG72 |
| A | ARG73 |
| A | ASP78 |
| B | MET152 |
| B | ARG155 |
| site_id | AC6 |
| Number of Residues | 5 |
| Details | binding site for residue EDO A 306 |
| Chain | Residue |
| A | GLU19 |
| A | LEU22 |
| A | SER23 |
| A | PRO237 |
| A | EDO308 |
| site_id | AC7 |
| Number of Residues | 7 |
| Details | binding site for residue EDO A 307 |
| Chain | Residue |
| A | ALA209 |
| A | ARG212 |
| A | HOH439 |
| A | HOH462 |
| B | EDO310 |
| D | ALA205 |
| D | HOH412 |
| site_id | AC8 |
| Number of Residues | 4 |
| Details | binding site for residue EDO A 308 |
| Chain | Residue |
| A | LEU22 |
| A | PRO164 |
| A | PRO237 |
| A | EDO306 |
| site_id | AC9 |
| Number of Residues | 5 |
| Details | binding site for residue EDO A 309 |
| Chain | Residue |
| A | LYS193 |
| A | ALA194 |
| A | ARG206 |
| A | HOH414 |
| D | THR220 |
| site_id | AD1 |
| Number of Residues | 8 |
| Details | binding site for residue EDO A 310 |
| Chain | Residue |
| A | ARG63 |
| A | LEU64 |
| A | GLY67 |
| A | GLY68 |
| A | EDO311 |
| B | GLU50 |
| B | ARG54 |
| B | EDO306 |
| site_id | AD2 |
| Number of Residues | 8 |
| Details | binding site for residue EDO A 311 |
| Chain | Residue |
| A | GLU34 |
| A | GLY67 |
| A | GLY68 |
| A | PHE69 |
| A | GLU231 |
| A | EDO310 |
| A | HOH450 |
| B | HOH412 |
| site_id | AD3 |
| Number of Residues | 3 |
| Details | binding site for residue EDO A 312 |
| Chain | Residue |
| A | ASP118 |
| A | ARG186 |
| A | GLU190 |
| site_id | AD4 |
| Number of Residues | 6 |
| Details | binding site for residue EDO A 313 |
| Chain | Residue |
| A | GLU58 |
| A | ARG72 |
| A | ARG159 |
| A | LEU163 |
| A | HOH471 |
| B | GLU156 |
| site_id | AD5 |
| Number of Residues | 5 |
| Details | binding site for residue ZN B 301 |
| Chain | Residue |
| B | ASN137 |
| B | HIS141 |
| B | HIS192 |
| B | HIS214 |
| B | CIT302 |
| site_id | AD6 |
| Number of Residues | 16 |
| Details | binding site for residue CIT B 302 |
| Chain | Residue |
| B | HIS214 |
| B | SER215 |
| B | THR217 |
| B | ALA218 |
| B | ASN221 |
| B | ZN301 |
| B | HOH438 |
| B | ARG86 |
| B | TYR133 |
| B | ASN137 |
| B | HIS141 |
| B | PRO168 |
| B | LEU172 |
| B | LEU185 |
| B | ALA188 |
| B | HIS192 |
| site_id | AD7 |
| Number of Residues | 2 |
| Details | binding site for residue SO4 B 303 |
| Chain | Residue |
| B | ARG138 |
| B | HIS142 |
| site_id | AD8 |
| Number of Residues | 6 |
| Details | binding site for residue EDO B 304 |
| Chain | Residue |
| B | LYS175 |
| B | HOH450 |
| D | ASN177 |
| D | ILE178 |
| D | GLY179 |
| D | ARG182 |
| site_id | AD9 |
| Number of Residues | 2 |
| Details | binding site for residue EDO B 305 |
| Chain | Residue |
| B | GLY179 |
| B | ARG182 |
| site_id | AE1 |
| Number of Residues | 4 |
| Details | binding site for residue EDO B 306 |
| Chain | Residue |
| A | PRO65 |
| A | EDO310 |
| B | THR8 |
| B | GLU50 |
| site_id | AE2 |
| Number of Residues | 7 |
| Details | binding site for residue EDO B 307 |
| Chain | Residue |
| B | ASP111 |
| B | LYS193 |
| B | VAL196 |
| B | ALA197 |
| B | VAL200 |
| B | HOH416 |
| B | HOH419 |
| site_id | AE3 |
| Number of Residues | 5 |
| Details | binding site for residue EDO B 308 |
| Chain | Residue |
| A | GLU156 |
| A | HOH442 |
| B | VAL85 |
| B | MET89 |
| B | GLU156 |
| site_id | AE4 |
| Number of Residues | 6 |
| Details | binding site for residue EDO B 309 |
| Chain | Residue |
| A | ASP78 |
| A | ASP81 |
| B | GLY149 |
| B | SER150 |
| B | GLU151 |
| B | MET152 |
| site_id | AE5 |
| Number of Residues | 6 |
| Details | binding site for residue EDO B 310 |
| Chain | Residue |
| A | EDO307 |
| A | HOH423 |
| B | ALA209 |
| B | ARG212 |
| B | HOH406 |
| B | HOH429 |
| site_id | AE6 |
| Number of Residues | 4 |
| Details | binding site for residue EDO B 311 |
| Chain | Residue |
| B | GLU58 |
| B | ARG159 |
| B | SER162 |
| B | LEU163 |
| site_id | AE7 |
| Number of Residues | 4 |
| Details | binding site for residue EDO B 312 |
| Chain | Residue |
| B | GLU57 |
| B | ARG155 |
| B | ARG159 |
| B | HOH424 |
| site_id | AE8 |
| Number of Residues | 7 |
| Details | binding site for residue EDO B 313 |
| Chain | Residue |
| B | GLU84 |
| B | GLU213 |
| B | ARG216 |
| B | HOH420 |
| B | HOH431 |
| C | ARG206 |
| C | HOH423 |
| site_id | AE9 |
| Number of Residues | 5 |
| Details | binding site for residue ZN C 301 |
| Chain | Residue |
| C | ASN137 |
| C | HIS141 |
| C | HIS192 |
| C | HIS214 |
| C | CIT302 |
| site_id | AF1 |
| Number of Residues | 17 |
| Details | binding site for residue CIT C 302 |
| Chain | Residue |
| C | ARG86 |
| C | TYR133 |
| C | ASN137 |
| C | HIS141 |
| C | PRO168 |
| C | PHE171 |
| C | LEU172 |
| C | LEU185 |
| C | ALA188 |
| C | HIS192 |
| C | HIS214 |
| C | SER215 |
| C | THR217 |
| C | ALA218 |
| C | ASN221 |
| C | ZN301 |
| C | HOH412 |
| site_id | AF2 |
| Number of Residues | 6 |
| Details | binding site for residue PEG C 303 |
| Chain | Residue |
| B | VAL35 |
| B | SER36 |
| B | GLU39 |
| B | HOH434 |
| C | HIS142 |
| C | GLN143 |
| site_id | AF3 |
| Number of Residues | 4 |
| Details | binding site for residue EDO C 304 |
| Chain | Residue |
| C | ARG72 |
| C | ARG73 |
| C | ASP78 |
| D | MET152 |
| site_id | AF4 |
| Number of Residues | 5 |
| Details | binding site for residue EDO C 305 |
| Chain | Residue |
| C | ALA146 |
| C | GLY149 |
| C | SER150 |
| C | GLU151 |
| C | HOH427 |
| site_id | AF5 |
| Number of Residues | 6 |
| Details | binding site for residue EDO C 306 |
| Chain | Residue |
| B | GLU203 |
| B | ARG206 |
| C | GLU84 |
| C | ARG216 |
| C | ARG219 |
| C | HOH421 |
| site_id | AF6 |
| Number of Residues | 5 |
| Details | binding site for residue ZN D 301 |
| Chain | Residue |
| D | ASN137 |
| D | HIS141 |
| D | HIS192 |
| D | HIS214 |
| D | CIT302 |
| site_id | AF7 |
| Number of Residues | 16 |
| Details | binding site for residue CIT D 302 |
| Chain | Residue |
| D | ARG86 |
| D | TYR133 |
| D | ASN137 |
| D | HIS141 |
| D | PRO168 |
| D | LEU172 |
| D | LEU185 |
| D | ALA188 |
| D | HIS192 |
| D | HIS214 |
| D | SER215 |
| D | THR217 |
| D | ALA218 |
| D | ASN221 |
| D | ZN301 |
| D | HOH423 |
| site_id | AF8 |
| Number of Residues | 2 |
| Details | binding site for residue NA D 303 |
| Chain | Residue |
| A | CYS120 |
| D | ARG31 |
| site_id | AF9 |
| Number of Residues | 3 |
| Details | binding site for residue NA D 304 |
| Chain | Residue |
| A | GLN116 |
| D | PHE33 |
| D | GLU34 |
