5X20
The ternary structure of D-mandelate dehydrogenase with NADH and anilino(oxo)acetate
Functional Information from GO Data
| Chain | GOid | namespace | contents |
| A | 0000166 | molecular_function | nucleotide binding |
| A | 0005737 | cellular_component | cytoplasm |
| A | 0008677 | molecular_function | 2-dehydropantoate 2-reductase activity |
| A | 0015940 | biological_process | pantothenate biosynthetic process |
| A | 0016491 | molecular_function | oxidoreductase activity |
| A | 0050661 | molecular_function | NADP binding |
| A | 0097256 | molecular_function | phenyllactate dehydrogenase (NAD+) activity |
| A | 0097620 | molecular_function | (R)-mandelate dehydrogenase activity |
| B | 0000166 | molecular_function | nucleotide binding |
| B | 0005737 | cellular_component | cytoplasm |
| B | 0008677 | molecular_function | 2-dehydropantoate 2-reductase activity |
| B | 0015940 | biological_process | pantothenate biosynthetic process |
| B | 0016491 | molecular_function | oxidoreductase activity |
| B | 0050661 | molecular_function | NADP binding |
| B | 0097256 | molecular_function | phenyllactate dehydrogenase (NAD+) activity |
| B | 0097620 | molecular_function | (R)-mandelate dehydrogenase activity |
| C | 0000166 | molecular_function | nucleotide binding |
| C | 0005737 | cellular_component | cytoplasm |
| C | 0008677 | molecular_function | 2-dehydropantoate 2-reductase activity |
| C | 0015940 | biological_process | pantothenate biosynthetic process |
| C | 0016491 | molecular_function | oxidoreductase activity |
| C | 0050661 | molecular_function | NADP binding |
| C | 0097256 | molecular_function | phenyllactate dehydrogenase (NAD+) activity |
| C | 0097620 | molecular_function | (R)-mandelate dehydrogenase activity |
| D | 0000166 | molecular_function | nucleotide binding |
| D | 0005737 | cellular_component | cytoplasm |
| D | 0008677 | molecular_function | 2-dehydropantoate 2-reductase activity |
| D | 0015940 | biological_process | pantothenate biosynthetic process |
| D | 0016491 | molecular_function | oxidoreductase activity |
| D | 0050661 | molecular_function | NADP binding |
| D | 0097256 | molecular_function | phenyllactate dehydrogenase (NAD+) activity |
| D | 0097620 | molecular_function | (R)-mandelate dehydrogenase activity |
| E | 0000166 | molecular_function | nucleotide binding |
| E | 0005737 | cellular_component | cytoplasm |
| E | 0008677 | molecular_function | 2-dehydropantoate 2-reductase activity |
| E | 0015940 | biological_process | pantothenate biosynthetic process |
| E | 0016491 | molecular_function | oxidoreductase activity |
| E | 0050661 | molecular_function | NADP binding |
| E | 0097256 | molecular_function | phenyllactate dehydrogenase (NAD+) activity |
| E | 0097620 | molecular_function | (R)-mandelate dehydrogenase activity |
| F | 0000166 | molecular_function | nucleotide binding |
| F | 0005737 | cellular_component | cytoplasm |
| F | 0008677 | molecular_function | 2-dehydropantoate 2-reductase activity |
| F | 0015940 | biological_process | pantothenate biosynthetic process |
| F | 0016491 | molecular_function | oxidoreductase activity |
| F | 0050661 | molecular_function | NADP binding |
| F | 0097256 | molecular_function | phenyllactate dehydrogenase (NAD+) activity |
| F | 0097620 | molecular_function | (R)-mandelate dehydrogenase activity |
Functional Information from PDB Data
| site_id | AC1 |
| Number of Residues | 24 |
| Details | binding site for residue NAD A 401 |
| Chain | Residue |
| A | GLY9 |
| A | LEU104 |
| A | ASN105 |
| A | TRP129 |
| A | THR130 |
| A | ALA131 |
| A | LEU133 |
| A | ARG270 |
| A | GLU273 |
| A | AOT402 |
| A | GOL405 |
| A | ALA10 |
| A | HOH510 |
| A | HOH512 |
| A | HOH531 |
| A | HOH539 |
| A | HOH548 |
| A | MET11 |
| A | ASP30 |
| A | TRP32 |
| A | PHE77 |
| A | THR78 |
| A | LYS79 |
| A | GLN82 |
| site_id | AC2 |
| Number of Residues | 7 |
| Details | binding site for residue AOT A 402 |
| Chain | Residue |
| A | ASN105 |
| A | MET128 |
| A | LYS187 |
| A | ASN191 |
| A | ASN195 |
| A | SER260 |
| A | NAD401 |
| site_id | AC3 |
| Number of Residues | 9 |
| Details | binding site for residue GOL A 403 |
| Chain | Residue |
| A | ILE107 |
| A | GLY108 |
| A | GLU110 |
| A | HIS181 |
| A | ILE184 |
| A | GLU232 |
| A | LYS284 |
| A | SO4408 |
| A | HOH502 |
| site_id | AC4 |
| Number of Residues | 6 |
| Details | binding site for residue GOL A 404 |
| Chain | Residue |
| A | ARG14 |
| A | THR130 |
| A | ALA131 |
| A | LYS140 |
| A | PHE142 |
| A | HIS257 |
| site_id | AC5 |
| Number of Residues | 6 |
| Details | binding site for residue GOL A 405 |
| Chain | Residue |
| A | GLU134 |
| A | GLY135 |
| A | ASN268 |
| A | ARG270 |
| A | NAD401 |
| A | HOH525 |
| site_id | AC6 |
| Number of Residues | 7 |
| Details | binding site for residue GOL A 406 |
| Chain | Residue |
| A | ASP275 |
| A | ALA280 |
| A | ARG283 |
| A | GOL407 |
| C | GLU84 |
| C | GLN88 |
| C | PHE116 |
| site_id | AC7 |
| Number of Residues | 6 |
| Details | binding site for residue GOL A 407 |
| Chain | Residue |
| A | ASP275 |
| A | GLY279 |
| A | ARG283 |
| A | THR299 |
| A | GOL406 |
| C | GLN88 |
| site_id | AC8 |
| Number of Residues | 7 |
| Details | binding site for residue SO4 A 408 |
| Chain | Residue |
| A | ASP111 |
| A | ARG283 |
| A | LYS284 |
| A | LYS287 |
| A | GOL403 |
| A | HOH508 |
| C | LYS115 |
| site_id | AC9 |
| Number of Residues | 3 |
| Details | binding site for residue SO4 A 409 |
| Chain | Residue |
| A | MET128 |
| A | ARG186 |
| A | HIS244 |
| site_id | AD1 |
| Number of Residues | 5 |
| Details | binding site for residue SO4 A 410 |
| Chain | Residue |
| A | ASN151 |
| A | ASP154 |
| A | GLY155 |
| A | LYS156 |
| A | GLU157 |
| site_id | AD2 |
| Number of Residues | 6 |
| Details | binding site for residue GOL A 411 |
| Chain | Residue |
| A | GLU84 |
| A | GLN88 |
| A | LYS115 |
| C | ASP275 |
| C | ALA280 |
| C | ARG283 |
| site_id | AD3 |
| Number of Residues | 21 |
| Details | binding site for residue NAD B 401 |
| Chain | Residue |
| B | ALA131 |
| B | LEU133 |
| B | ARG270 |
| B | GLU273 |
| B | AOT402 |
| B | GOL405 |
| B | HOH513 |
| B | HOH525 |
| B | GLY9 |
| B | ALA10 |
| B | MET11 |
| B | ASP30 |
| B | TRP32 |
| B | PHE77 |
| B | THR78 |
| B | LYS79 |
| B | GLN82 |
| B | LEU104 |
| B | ASN105 |
| B | TRP129 |
| B | THR130 |
| site_id | AD4 |
| Number of Residues | 8 |
| Details | binding site for residue AOT B 402 |
| Chain | Residue |
| B | ASN105 |
| B | MET128 |
| B | LYS187 |
| B | ASN191 |
| B | ASN195 |
| B | PRO259 |
| B | SER260 |
| B | NAD401 |
| site_id | AD5 |
| Number of Residues | 7 |
| Details | binding site for residue GOL B 403 |
| Chain | Residue |
| B | GLY108 |
| B | GLU110 |
| B | HIS181 |
| B | ILE184 |
| B | GLU232 |
| B | LYS284 |
| B | HOH504 |
| site_id | AD6 |
| Number of Residues | 4 |
| Details | binding site for residue GOL B 404 |
| Chain | Residue |
| B | THR130 |
| B | ALA131 |
| B | PHE142 |
| B | HIS257 |
| site_id | AD7 |
| Number of Residues | 5 |
| Details | binding site for residue GOL B 405 |
| Chain | Residue |
| B | LEU133 |
| B | GLU134 |
| B | ASN268 |
| B | ARG270 |
| B | NAD401 |
| site_id | AD8 |
| Number of Residues | 2 |
| Details | binding site for residue SO4 B 406 |
| Chain | Residue |
| B | ARG186 |
| B | HIS244 |
| site_id | AD9 |
| Number of Residues | 6 |
| Details | binding site for residue SO4 B 407 |
| Chain | Residue |
| B | ASN151 |
| B | GLY153 |
| B | ASP154 |
| B | GLY155 |
| B | LYS156 |
| B | GLU157 |
| site_id | AE1 |
| Number of Residues | 4 |
| Details | binding site for residue SO4 B 408 |
| Chain | Residue |
| A | LYS96 |
| B | HIS20 |
| B | ALA55 |
| B | LYS56 |
| site_id | AE2 |
| Number of Residues | 3 |
| Details | binding site for residue SO4 B 409 |
| Chain | Residue |
| B | LYS286 |
| B | ASP296 |
| B | GLU300 |
| site_id | AE3 |
| Number of Residues | 23 |
| Details | binding site for residue NAD C 401 |
| Chain | Residue |
| C | GLY9 |
| C | ALA10 |
| C | MET11 |
| C | ASP30 |
| C | TRP32 |
| C | PHE77 |
| C | THR78 |
| C | LYS79 |
| C | GLN82 |
| C | LEU104 |
| C | ASN105 |
| C | TRP129 |
| C | THR130 |
| C | ALA131 |
| C | LEU133 |
| C | ARG270 |
| C | GLU273 |
| C | AOT402 |
| C | GOL405 |
| C | HOH510 |
| C | HOH530 |
| C | HOH548 |
| C | HOH564 |
| site_id | AE4 |
| Number of Residues | 9 |
| Details | binding site for residue AOT C 402 |
| Chain | Residue |
| C | ASN105 |
| C | MET128 |
| C | LYS187 |
| C | ASN191 |
| C | ASN195 |
| C | ILE254 |
| C | PRO259 |
| C | SER260 |
| C | NAD401 |
| site_id | AE5 |
| Number of Residues | 8 |
| Details | binding site for residue GOL C 403 |
| Chain | Residue |
| C | ILE107 |
| C | GLY108 |
| C | GLU110 |
| C | HIS181 |
| C | ILE184 |
| C | LYS284 |
| C | SO4407 |
| C | HOH508 |
| site_id | AE6 |
| Number of Residues | 6 |
| Details | binding site for residue GOL C 404 |
| Chain | Residue |
| C | THR130 |
| C | ALA131 |
| C | LYS140 |
| C | PHE142 |
| C | HIS257 |
| C | SO4409 |
| site_id | AE7 |
| Number of Residues | 6 |
| Details | binding site for residue GOL C 405 |
| Chain | Residue |
| C | LEU133 |
| C | GLU134 |
| C | GLY135 |
| C | ASN268 |
| C | NAD401 |
| C | HOH539 |
| site_id | AE8 |
| Number of Residues | 4 |
| Details | binding site for residue GOL C 406 |
| Chain | Residue |
| C | ASN47 |
| C | GLU52 |
| C | GLU134 |
| C | LYS140 |
| site_id | AE9 |
| Number of Residues | 6 |
| Details | binding site for residue SO4 C 407 |
| Chain | Residue |
| A | LYS115 |
| C | ASP111 |
| C | ARG283 |
| C | LYS284 |
| C | LYS287 |
| C | GOL403 |
| site_id | AF1 |
| Number of Residues | 2 |
| Details | binding site for residue SO4 C 408 |
| Chain | Residue |
| C | ARG186 |
| C | HIS244 |
| site_id | AF2 |
| Number of Residues | 4 |
| Details | binding site for residue SO4 C 409 |
| Chain | Residue |
| C | HIS257 |
| C | TYR258 |
| C | GLN263 |
| C | GOL404 |
| site_id | AF3 |
| Number of Residues | 4 |
| Details | binding site for residue SO4 C 410 |
| Chain | Residue |
| C | GLY155 |
| C | LYS156 |
| C | GLU157 |
| C | HOH506 |
| site_id | AF4 |
| Number of Residues | 2 |
| Details | binding site for residue SO4 C 411 |
| Chain | Residue |
| C | SER144 |
| C | HOH561 |
| site_id | AF5 |
| Number of Residues | 5 |
| Details | binding site for residue SO4 C 412 |
| Chain | Residue |
| C | MET128 |
| C | HIS244 |
| C | SER247 |
| C | CYS248 |
| C | THR253 |
| site_id | AF6 |
| Number of Residues | 3 |
| Details | binding site for residue SO4 C 413 |
| Chain | Residue |
| C | HIS20 |
| C | ALA55 |
| C | LYS56 |
| site_id | AF7 |
| Number of Residues | 16 |
| Details | binding site for residue NAD D 401 |
| Chain | Residue |
| D | GLY9 |
| D | ALA10 |
| D | MET11 |
| D | ASP30 |
| D | TRP32 |
| D | PHE77 |
| D | THR78 |
| D | LYS79 |
| D | GLN82 |
| D | ASN105 |
| D | TRP129 |
| D | ALA131 |
| D | LEU133 |
| D | ARG270 |
| D | GLU273 |
| D | AOT402 |
| site_id | AF8 |
| Number of Residues | 8 |
| Details | binding site for residue AOT D 402 |
| Chain | Residue |
| D | ASN105 |
| D | MET128 |
| D | LYS187 |
| D | ASN191 |
| D | ASN195 |
| D | PRO259 |
| D | SER260 |
| D | NAD401 |
| site_id | AF9 |
| Number of Residues | 6 |
| Details | binding site for residue GOL D 403 |
| Chain | Residue |
| D | GLY108 |
| D | GLU110 |
| D | HIS181 |
| D | ILE184 |
| D | TYR185 |
| D | GLU232 |
| site_id | AG1 |
| Number of Residues | 6 |
| Details | binding site for residue SO4 D 404 |
| Chain | Residue |
| D | ASN151 |
| D | GLY153 |
| D | ASP154 |
| D | GLY155 |
| D | LYS156 |
| D | GLU157 |
| site_id | AG2 |
| Number of Residues | 4 |
| Details | binding site for residue SO4 D 405 |
| Chain | Residue |
| D | LYS233 |
| D | HOH516 |
| E | TYR288 |
| E | VAL290 |
| site_id | AG3 |
| Number of Residues | 22 |
| Details | binding site for residue NAD E 401 |
| Chain | Residue |
| E | GLY9 |
| E | ALA10 |
| E | MET11 |
| E | ASP30 |
| E | TRP32 |
| E | PHE77 |
| E | THR78 |
| E | LYS79 |
| E | GLN82 |
| E | ASN105 |
| E | TRP129 |
| E | THR130 |
| E | ALA131 |
| E | LEU133 |
| E | ARG270 |
| E | GLU273 |
| E | AOT402 |
| E | GOL405 |
| E | HOH503 |
| E | HOH515 |
| E | HOH523 |
| E | HOH550 |
| site_id | AG4 |
| Number of Residues | 8 |
| Details | binding site for residue AOT E 402 |
| Chain | Residue |
| E | ASN105 |
| E | MET128 |
| E | LYS187 |
| E | ASN191 |
| E | ASN195 |
| E | CYS248 |
| E | SER260 |
| E | NAD401 |
| site_id | AG5 |
| Number of Residues | 8 |
| Details | binding site for residue GOL E 403 |
| Chain | Residue |
| E | ILE107 |
| E | GLY108 |
| E | GLU110 |
| E | HIS181 |
| E | ILE184 |
| E | GLU232 |
| E | HOH502 |
| E | HOH517 |
| site_id | AG6 |
| Number of Residues | 6 |
| Details | binding site for residue GOL E 404 |
| Chain | Residue |
| E | THR130 |
| E | ALA131 |
| E | GLY132 |
| E | LYS140 |
| E | PHE142 |
| E | HIS257 |
| site_id | AG7 |
| Number of Residues | 6 |
| Details | binding site for residue GOL E 405 |
| Chain | Residue |
| E | LEU133 |
| E | GLU134 |
| E | GLY135 |
| E | ASN268 |
| E | ARG270 |
| E | NAD401 |
| site_id | AG8 |
| Number of Residues | 2 |
| Details | binding site for residue SO4 E 406 |
| Chain | Residue |
| E | LYS284 |
| E | LYS287 |
| site_id | AG9 |
| Number of Residues | 4 |
| Details | binding site for residue SO4 E 407 |
| Chain | Residue |
| E | ASN151 |
| E | ASP154 |
| E | GLY155 |
| E | GLU157 |
| site_id | AH1 |
| Number of Residues | 5 |
| Details | binding site for residue GOL F 401 |
| Chain | Residue |
| F | VAL190 |
| F | ASN191 |
| F | ASN195 |
| F | PRO259 |
| F | SER260 |
