5MZ8
Crystal structure of aldehyde dehydrogenase 21 (ALDH21) from Physcomitrella patens in complex with the reaction product succinate
Functional Information from GO Data
| Chain | GOid | namespace | contents |
| A | 0000166 | molecular_function | nucleotide binding |
| A | 0008911 | molecular_function | lactaldehyde dehydrogenase (NAD+) activity |
| A | 0016491 | molecular_function | oxidoreductase activity |
| A | 0016620 | molecular_function | oxidoreductase activity, acting on the aldehyde or oxo group of donors, NAD or NADP as acceptor |
| B | 0000166 | molecular_function | nucleotide binding |
| B | 0008911 | molecular_function | lactaldehyde dehydrogenase (NAD+) activity |
| B | 0016491 | molecular_function | oxidoreductase activity |
| B | 0016620 | molecular_function | oxidoreductase activity, acting on the aldehyde or oxo group of donors, NAD or NADP as acceptor |
| C | 0000166 | molecular_function | nucleotide binding |
| C | 0008911 | molecular_function | lactaldehyde dehydrogenase (NAD+) activity |
| C | 0016491 | molecular_function | oxidoreductase activity |
| C | 0016620 | molecular_function | oxidoreductase activity, acting on the aldehyde or oxo group of donors, NAD or NADP as acceptor |
| D | 0000166 | molecular_function | nucleotide binding |
| D | 0008911 | molecular_function | lactaldehyde dehydrogenase (NAD+) activity |
| D | 0016491 | molecular_function | oxidoreductase activity |
| D | 0016620 | molecular_function | oxidoreductase activity, acting on the aldehyde or oxo group of donors, NAD or NADP as acceptor |
Functional Information from PDB Data
| site_id | AC1 |
| Number of Residues | 9 |
| Details | binding site for residue SIN A 501 |
| Chain | Residue |
| A | ARG121 |
| A | ASN171 |
| A | PHE172 |
| A | LEU176 |
| A | TYR296 |
| A | SER301 |
| A | CYS302 |
| A | ARG457 |
| A | TYR463 |
| site_id | AC2 |
| Number of Residues | 3 |
| Details | binding site for residue EDO A 502 |
| Chain | Residue |
| A | ASP278 |
| A | TYR279 |
| A | LYS431 |
| site_id | AC3 |
| Number of Residues | 5 |
| Details | binding site for residue EDO A 503 |
| Chain | Residue |
| A | LYS263 |
| A | VAL264 |
| A | HOH650 |
| B | LYS263 |
| B | VAL264 |
| site_id | AC4 |
| Number of Residues | 3 |
| Details | binding site for residue EDO A 504 |
| Chain | Residue |
| A | TYR44 |
| A | ASN46 |
| C | THR45 |
| site_id | AC5 |
| Number of Residues | 4 |
| Details | binding site for residue EDO A 505 |
| Chain | Residue |
| A | LYS158 |
| A | LYS477 |
| A | ASP481 |
| A | HOH606 |
| site_id | AC6 |
| Number of Residues | 4 |
| Details | binding site for residue EDO A 506 |
| Chain | Residue |
| A | THR41 |
| A | ASN46 |
| C | ASP47 |
| C | VAL48 |
| site_id | AC7 |
| Number of Residues | 2 |
| Details | binding site for residue EDO A 507 |
| Chain | Residue |
| A | THR103 |
| A | MET106 |
| site_id | AC8 |
| Number of Residues | 6 |
| Details | binding site for residue EDO A 509 |
| Chain | Residue |
| A | PHE159 |
| A | GLU485 |
| A | LYS487 |
| A | HOH649 |
| B | LEU466 |
| B | HOH619 |
| site_id | AC9 |
| Number of Residues | 4 |
| Details | binding site for residue EDO A 510 |
| Chain | Residue |
| A | LYS467 |
| A | ASP468 |
| B | LYS241 |
| B | HOH666 |
| site_id | AD1 |
| Number of Residues | 2 |
| Details | binding site for residue PEG A 511 |
| Chain | Residue |
| A | ASP432 |
| D | ASP432 |
| site_id | AD2 |
| Number of Residues | 12 |
| Details | binding site for residue PEG A 512 |
| Chain | Residue |
| A | GLY270 |
| A | ASN271 |
| A | PRO273 |
| A | CYS417 |
| A | ASN418 |
| A | THR420 |
| A | TYR422 |
| A | GLY423 |
| A | LEU424 |
| A | GLN425 |
| A | SER426 |
| A | VAL445 |
| site_id | AD3 |
| Number of Residues | 4 |
| Details | binding site for residue PEG A 513 |
| Chain | Residue |
| A | LYS150 |
| A | ARG492 |
| A | ASN493 |
| B | TYR285 |
| site_id | AD4 |
| Number of Residues | 9 |
| Details | binding site for residue SIN B 501 |
| Chain | Residue |
| B | ARG121 |
| B | ASN171 |
| B | PHE172 |
| B | LEU176 |
| B | TYR296 |
| B | SER301 |
| B | CYS302 |
| B | ARG457 |
| B | TYR463 |
| site_id | AD5 |
| Number of Residues | 2 |
| Details | binding site for residue GOL B 502 |
| Chain | Residue |
| B | GLY332 |
| B | LYS374 |
| site_id | AD6 |
| Number of Residues | 4 |
| Details | binding site for residue EDO B 503 |
| Chain | Residue |
| B | ASP278 |
| B | TYR279 |
| B | LYS431 |
| B | EDO504 |
| site_id | AD7 |
| Number of Residues | 4 |
| Details | binding site for residue EDO B 504 |
| Chain | Residue |
| B | ARG313 |
| B | GLU317 |
| B | EDO503 |
| B | HOH686 |
| site_id | AD8 |
| Number of Residues | 2 |
| Details | binding site for residue EDO B 505 |
| Chain | Residue |
| B | LYS477 |
| B | ASP481 |
| site_id | AD9 |
| Number of Residues | 4 |
| Details | binding site for residue EDO B 506 |
| Chain | Residue |
| B | ASP481 |
| B | LEU484 |
| B | GLU485 |
| B | THR486 |
| site_id | AE1 |
| Number of Residues | 2 |
| Details | binding site for residue EDO B 507 |
| Chain | Residue |
| B | GLU92 |
| B | ILE209 |
| site_id | AE2 |
| Number of Residues | 3 |
| Details | binding site for residue EDO B 508 |
| Chain | Residue |
| B | GLU92 |
| B | ARG96 |
| B | LYS212 |
| site_id | AE3 |
| Number of Residues | 3 |
| Details | binding site for residue EDO B 509 |
| Chain | Residue |
| B | ASN23 |
| B | PHE25 |
| B | GLU208 |
| site_id | AE4 |
| Number of Residues | 1 |
| Details | binding site for residue EDO B 510 |
| Chain | Residue |
| B | GLN102 |
| site_id | AE5 |
| Number of Residues | 2 |
| Details | binding site for residue EDO B 511 |
| Chain | Residue |
| B | LYS36 |
| B | GLN54 |
| site_id | AE6 |
| Number of Residues | 4 |
| Details | binding site for residue EDO B 512 |
| Chain | Residue |
| B | LYS194 |
| B | VAL226 |
| B | SER227 |
| B | HOH667 |
| site_id | AE7 |
| Number of Residues | 1 |
| Details | binding site for residue EDO B 513 |
| Chain | Residue |
| B | LEU218 |
| site_id | AE8 |
| Number of Residues | 2 |
| Details | binding site for residue EDO B 514 |
| Chain | Residue |
| B | ASP282 |
| B | HOH701 |
| site_id | AE9 |
| Number of Residues | 4 |
| Details | binding site for residue EDO B 515 |
| Chain | Residue |
| C | THR369 |
| C | GLY370 |
| C | ASN372 |
| C | GLU379 |
| site_id | AF1 |
| Number of Residues | 3 |
| Details | binding site for residue EDO B 516 |
| Chain | Residue |
| B | LYS328 |
| B | LEU329 |
| B | LYS330 |
| site_id | AF2 |
| Number of Residues | 7 |
| Details | binding site for residue PEG B 517 |
| Chain | Residue |
| B | ILE136 |
| B | LYS157 |
| B | LYS158 |
| B | VAL187 |
| B | HOH646 |
| B | HOH662 |
| C | HIS140 |
| site_id | AF3 |
| Number of Residues | 3 |
| Details | binding site for residue EDO B 518 |
| Chain | Residue |
| B | ASP432 |
| B | ASN434 |
| D | LEU497 |
| site_id | AF4 |
| Number of Residues | 9 |
| Details | binding site for residue SIN C 501 |
| Chain | Residue |
| C | ARG121 |
| C | ASN171 |
| C | PHE172 |
| C | TYR296 |
| C | SER301 |
| C | CYS302 |
| C | ARG457 |
| C | TYR463 |
| C | HOH623 |
| site_id | AF5 |
| Number of Residues | 3 |
| Details | binding site for residue GOL C 502 |
| Chain | Residue |
| C | LYS406 |
| C | TYR407 |
| C | HOH624 |
| site_id | AF6 |
| Number of Residues | 5 |
| Details | binding site for residue EDO C 503 |
| Chain | Residue |
| C | GLU132 |
| C | ARG135 |
| C | ILE136 |
| C | LYS477 |
| C | MET480 |
| site_id | AF7 |
| Number of Residues | 2 |
| Details | binding site for residue EDO C 504 |
| Chain | Residue |
| C | ASP432 |
| C | ASN434 |
| site_id | AF8 |
| Number of Residues | 3 |
| Details | binding site for residue EDO C 505 |
| Chain | Residue |
| C | ASP278 |
| C | TYR279 |
| C | LYS431 |
| site_id | AF9 |
| Number of Residues | 2 |
| Details | binding site for residue EDO C 506 |
| Chain | Residue |
| C | ASP385 |
| C | LYS406 |
| site_id | AG1 |
| Number of Residues | 3 |
| Details | binding site for residue EDO C 507 |
| Chain | Residue |
| C | ASN42 |
| C | ASN333 |
| C | PHE335 |
| site_id | AG2 |
| Number of Residues | 2 |
| Details | binding site for residue EDO C 508 |
| Chain | Residue |
| C | GLU99 |
| C | LYS212 |
| site_id | AG3 |
| Number of Residues | 5 |
| Details | binding site for residue EDO C 510 |
| Chain | Residue |
| C | PHE159 |
| C | LYS487 |
| C | HOH635 |
| D | LEU466 |
| D | HOH650 |
| site_id | AG4 |
| Number of Residues | 3 |
| Details | binding site for residue EDO C 511 |
| Chain | Residue |
| C | HIS442 |
| C | GLU444 |
| C | HOH646 |
| site_id | AG5 |
| Number of Residues | 4 |
| Details | binding site for residue EDO C 512 |
| Chain | Residue |
| C | VAL236 |
| C | ASP237 |
| C | GLU238 |
| C | ARG239 |
| site_id | AG6 |
| Number of Residues | 1 |
| Details | binding site for residue PEG C 513 |
| Chain | Residue |
| C | LYS431 |
| site_id | AG7 |
| Number of Residues | 6 |
| Details | binding site for residue PEG C 514 |
| Chain | Residue |
| C | ASP144 |
| C | GLY151 |
| C | LEU152 |
| C | ASN493 |
| C | VAL494 |
| C | THR496 |
| site_id | AG8 |
| Number of Residues | 7 |
| Details | binding site for residue EDO D 501 |
| Chain | Residue |
| A | PRO142 |
| A | LEU143 |
| A | ILE145 |
| B | SER460 |
| D | VAL134 |
| D | ARG135 |
| D | TYR137 |
| site_id | AG9 |
| Number of Residues | 10 |
| Details | binding site for residue SIN D 502 |
| Chain | Residue |
| D | ARG121 |
| D | ASN171 |
| D | PHE172 |
| D | ASN175 |
| D | LEU176 |
| D | TYR296 |
| D | SER301 |
| D | CYS302 |
| D | ARG457 |
| D | TYR463 |
| site_id | AH1 |
| Number of Residues | 5 |
| Details | binding site for residue GOL D 503 |
| Chain | Residue |
| D | ALA84 |
| D | GLU87 |
| D | LYS88 |
| D | HOH613 |
| D | HOH621 |
| site_id | AH2 |
| Number of Residues | 6 |
| Details | binding site for residue GOL D 504 |
| Chain | Residue |
| C | LYS263 |
| C | VAL264 |
| D | LYS256 |
| D | LYS263 |
| D | VAL264 |
| D | ILE471 |
| site_id | AH3 |
| Number of Residues | 5 |
| Details | binding site for residue EDO D 505 |
| Chain | Residue |
| D | ILE136 |
| D | LYS477 |
| D | LEU484 |
| D | HOH604 |
| D | HOH664 |
| site_id | AH4 |
| Number of Residues | 3 |
| Details | binding site for residue EDO D 506 |
| Chain | Residue |
| D | LYS150 |
| D | ARG492 |
| D | ASN493 |
| site_id | AH5 |
| Number of Residues | 3 |
| Details | binding site for residue EDO D 507 |
| Chain | Residue |
| C | ARG473 |
| D | GLU485 |
| D | THR486 |
| site_id | AH6 |
| Number of Residues | 2 |
| Details | binding site for residue EDO D 508 |
| Chain | Residue |
| D | ASN42 |
| D | PHE335 |
| site_id | AH7 |
| Number of Residues | 3 |
| Details | binding site for residue EDO D 509 |
| Chain | Residue |
| D | ASN23 |
| D | PRO30 |
| D | ASP32 |
| site_id | AH8 |
| Number of Residues | 4 |
| Details | binding site for residue EDO D 510 |
| Chain | Residue |
| D | GLU238 |
| D | PHE240 |
| D | LYS241 |
| D | LYS262 |
| site_id | AH9 |
| Number of Residues | 4 |
| Details | binding site for residue PEG D 511 |
| Chain | Residue |
| D | GLY151 |
| D | VAL494 |
| D | THR496 |
| D | HOH651 |
Functional Information from PROSITE/UniProt
| site_id | PS00687 |
| Number of Residues | 8 |
| Details | ALDEHYDE_DEHYDR_GLU Aldehyde dehydrogenases glutamic acid active site. MELGGNAP |
| Chain | Residue | Details |
| A | MET266-PRO273 |
