5NX9
Crystal structure of Neanderthal Adenylosuccinate Lyase (ADSL) in complex with its products AMP and fumarate
Functional Information from GO Data
| Chain | GOid | namespace | contents |
| A | 0000166 | molecular_function | nucleotide binding |
| A | 0003824 | molecular_function | catalytic activity |
| A | 0004018 | molecular_function | N6-(1,2-dicarboxyethyl)AMP AMP-lyase (fumarate-forming) activity |
| A | 0005829 | cellular_component | cytosol |
| A | 0006164 | biological_process | purine nucleotide biosynthetic process |
| A | 0006189 | biological_process | 'de novo' IMP biosynthetic process |
| A | 0009152 | biological_process | purine ribonucleotide biosynthetic process |
| A | 0009168 | biological_process | purine ribonucleoside monophosphate biosynthetic process |
| A | 0016829 | molecular_function | lyase activity |
| A | 0044208 | biological_process | 'de novo' AMP biosynthetic process |
| A | 0070626 | molecular_function | (S)-2-(5-amino-1-(5-phospho-D-ribosyl)imidazole-4-carboxamido) succinate lyase (fumarate-forming) activity |
| B | 0000166 | molecular_function | nucleotide binding |
| B | 0003824 | molecular_function | catalytic activity |
| B | 0004018 | molecular_function | N6-(1,2-dicarboxyethyl)AMP AMP-lyase (fumarate-forming) activity |
| B | 0005829 | cellular_component | cytosol |
| B | 0006164 | biological_process | purine nucleotide biosynthetic process |
| B | 0006189 | biological_process | 'de novo' IMP biosynthetic process |
| B | 0009152 | biological_process | purine ribonucleotide biosynthetic process |
| B | 0009168 | biological_process | purine ribonucleoside monophosphate biosynthetic process |
| B | 0016829 | molecular_function | lyase activity |
| B | 0044208 | biological_process | 'de novo' AMP biosynthetic process |
| B | 0070626 | molecular_function | (S)-2-(5-amino-1-(5-phospho-D-ribosyl)imidazole-4-carboxamido) succinate lyase (fumarate-forming) activity |
| C | 0000166 | molecular_function | nucleotide binding |
| C | 0003824 | molecular_function | catalytic activity |
| C | 0004018 | molecular_function | N6-(1,2-dicarboxyethyl)AMP AMP-lyase (fumarate-forming) activity |
| C | 0005829 | cellular_component | cytosol |
| C | 0006164 | biological_process | purine nucleotide biosynthetic process |
| C | 0006189 | biological_process | 'de novo' IMP biosynthetic process |
| C | 0009152 | biological_process | purine ribonucleotide biosynthetic process |
| C | 0009168 | biological_process | purine ribonucleoside monophosphate biosynthetic process |
| C | 0016829 | molecular_function | lyase activity |
| C | 0044208 | biological_process | 'de novo' AMP biosynthetic process |
| C | 0070626 | molecular_function | (S)-2-(5-amino-1-(5-phospho-D-ribosyl)imidazole-4-carboxamido) succinate lyase (fumarate-forming) activity |
| D | 0000166 | molecular_function | nucleotide binding |
| D | 0003824 | molecular_function | catalytic activity |
| D | 0004018 | molecular_function | N6-(1,2-dicarboxyethyl)AMP AMP-lyase (fumarate-forming) activity |
| D | 0005829 | cellular_component | cytosol |
| D | 0006164 | biological_process | purine nucleotide biosynthetic process |
| D | 0006189 | biological_process | 'de novo' IMP biosynthetic process |
| D | 0009152 | biological_process | purine ribonucleotide biosynthetic process |
| D | 0009168 | biological_process | purine ribonucleoside monophosphate biosynthetic process |
| D | 0016829 | molecular_function | lyase activity |
| D | 0044208 | biological_process | 'de novo' AMP biosynthetic process |
| D | 0070626 | molecular_function | (S)-2-(5-amino-1-(5-phospho-D-ribosyl)imidazole-4-carboxamido) succinate lyase (fumarate-forming) activity |
Functional Information from PDB Data
| site_id | AC1 |
| Number of Residues | 4 |
| Details | binding site for residue CL A 501 |
| Chain | Residue |
| A | GLY200 |
| A | THR201 |
| A | SER207 |
| A | HOH621 |
| site_id | AC2 |
| Number of Residues | 4 |
| Details | binding site for residue CL A 502 |
| Chain | Residue |
| A | THR111 |
| A | ARG196 |
| A | LYS199 |
| A | GLY200 |
| site_id | AC3 |
| Number of Residues | 20 |
| Details | binding site for residue AMP A 503 |
| Chain | Residue |
| A | ARG85 |
| A | HIS86 |
| A | ASP87 |
| A | SER112 |
| A | GLN241 |
| A | ARG329 |
| A | LEU331 |
| A | SER334 |
| A | ALA335 |
| A | ARG338 |
| A | FUM504 |
| A | HOH602 |
| A | HOH623 |
| B | HIS159 |
| D | ARG20 |
| D | TYR21 |
| D | GLY288 |
| D | MET299 |
| D | ARG303 |
| A | GLU81 |
| site_id | AC4 |
| Number of Residues | 11 |
| Details | binding site for residue FUM A 504 |
| Chain | Residue |
| A | HIS86 |
| A | THR111 |
| A | SER112 |
| A | GLN241 |
| A | AMP503 |
| B | THR158 |
| B | HIS159 |
| D | SER289 |
| D | SER290 |
| D | LYS295 |
| D | ASN297 |
| site_id | AC5 |
| Number of Residues | 3 |
| Details | binding site for residue PEG A 505 |
| Chain | Residue |
| A | GLN416 |
| A | PEG507 |
| C | VAL364 |
| site_id | AC6 |
| Number of Residues | 5 |
| Details | binding site for residue PEG A 506 |
| Chain | Residue |
| A | GLU220 |
| A | GLN221 |
| A | LYS224 |
| A | HOH638 |
| C | ASP59 |
| site_id | AC7 |
| Number of Residues | 8 |
| Details | binding site for residue PEG A 507 |
| Chain | Residue |
| A | ARG141 |
| A | SER359 |
| A | GLU360 |
| A | LEU362 |
| A | GLN416 |
| A | PEG505 |
| A | HOH605 |
| A | HOH661 |
| site_id | AC8 |
| Number of Residues | 2 |
| Details | binding site for residue PEG A 508 |
| Chain | Residue |
| A | GLN184 |
| B | ARG234 |
| site_id | AC9 |
| Number of Residues | 4 |
| Details | binding site for residue PEG A 509 |
| Chain | Residue |
| A | ARG372 |
| A | GLN375 |
| C | GLN375 |
| C | VAL414 |
| site_id | AD1 |
| Number of Residues | 4 |
| Details | binding site for residue CL B 501 |
| Chain | Residue |
| B | THR111 |
| B | ARG196 |
| B | LYS199 |
| B | GLY200 |
| site_id | AD2 |
| Number of Residues | 19 |
| Details | binding site for residue 2SA B 502 |
| Chain | Residue |
| A | THR158 |
| A | HIS159 |
| B | ARG85 |
| B | HIS86 |
| B | ASP87 |
| B | THR111 |
| B | SER112 |
| B | GLN241 |
| B | ARG329 |
| B | LEU331 |
| B | SER334 |
| B | ALA335 |
| B | ARG338 |
| B | HOH638 |
| C | ARG20 |
| C | TYR21 |
| C | ASN297 |
| C | MET299 |
| C | ARG303 |
| site_id | AD3 |
| Number of Residues | 3 |
| Details | binding site for residue PEG B 503 |
| Chain | Residue |
| B | THR52 |
| B | LYS229 |
| B | HOH619 |
| site_id | AD4 |
| Number of Residues | 25 |
| Details | binding site for residue 2SA C 501 |
| Chain | Residue |
| C | THR111 |
| C | SER112 |
| C | GLN241 |
| C | ARG329 |
| C | SER334 |
| C | ALA335 |
| C | ARG338 |
| C | HOH616 |
| C | HOH623 |
| C | HOH625 |
| C | HOH631 |
| D | THR158 |
| D | HIS159 |
| B | ARG20 |
| B | TYR21 |
| B | GLY288 |
| B | SER289 |
| B | SER290 |
| B | LYS295 |
| B | ASN297 |
| B | MET299 |
| B | ARG303 |
| C | ARG85 |
| C | HIS86 |
| C | ASP87 |
| site_id | AD5 |
| Number of Residues | 2 |
| Details | binding site for residue CL C 502 |
| Chain | Residue |
| C | THR201 |
| C | SER207 |
| site_id | AD6 |
| Number of Residues | 4 |
| Details | binding site for residue CL C 503 |
| Chain | Residue |
| C | THR111 |
| C | ARG196 |
| C | LYS199 |
| C | GLY200 |
| site_id | AD7 |
| Number of Residues | 5 |
| Details | binding site for residue PEG C 504 |
| Chain | Residue |
| A | ASP59 |
| C | HIS217 |
| C | GLU220 |
| C | GLN221 |
| C | LYS224 |
| site_id | AD8 |
| Number of Residues | 3 |
| Details | binding site for residue PEG C 505 |
| Chain | Residue |
| A | THR58 |
| C | ASP215 |
| C | HIS217 |
| site_id | AD9 |
| Number of Residues | 5 |
| Details | binding site for residue PEG C 506 |
| Chain | Residue |
| B | TYR34 |
| B | THR38 |
| B | GLU70 |
| C | GLU60 |
| C | LYS101 |
| site_id | AE1 |
| Number of Residues | 4 |
| Details | binding site for residue GOL C 507 |
| Chain | Residue |
| C | LEU53 |
| C | GLY54 |
| C | PHE212 |
| C | GLU213 |
| site_id | AE2 |
| Number of Residues | 3 |
| Details | binding site for residue PEG C 508 |
| Chain | Residue |
| C | GLN210 |
| D | ASN384 |
| D | SER448 |
| site_id | AE3 |
| Number of Residues | 5 |
| Details | binding site for residue CL D 501 |
| Chain | Residue |
| D | THR111 |
| D | TYR114 |
| D | ARG196 |
| D | LYS199 |
| D | GLY200 |
| site_id | AE4 |
| Number of Residues | 17 |
| Details | binding site for residue AMP D 502 |
| Chain | Residue |
| A | ARG20 |
| A | TYR21 |
| A | ARG303 |
| C | HIS159 |
| D | ARG85 |
| D | HIS86 |
| D | ASP87 |
| D | SER112 |
| D | GLN241 |
| D | ARG329 |
| D | LEU331 |
| D | SER334 |
| D | ALA335 |
| D | ARG338 |
| D | FUM503 |
| D | HOH612 |
| D | HOH627 |
| site_id | AE5 |
| Number of Residues | 10 |
| Details | binding site for residue FUM D 503 |
| Chain | Residue |
| A | GLY288 |
| A | LYS295 |
| A | ASN297 |
| C | THR158 |
| C | HIS159 |
| D | HIS86 |
| D | THR111 |
| D | SER112 |
| D | GLN241 |
| D | AMP502 |
| site_id | AE6 |
| Number of Residues | 1 |
| Details | binding site for residue PEG D 504 |
| Chain | Residue |
| D | LYS402 |
| site_id | AE7 |
| Number of Residues | 3 |
| Details | binding site for residue PEG D 505 |
| Chain | Residue |
| A | ARG14 |
| D | PHE74 |
| D | ALA78 |
| site_id | AE8 |
| Number of Residues | 2 |
| Details | binding site for residue PEG D 506 |
| Chain | Residue |
| D | ARG85 |
| D | HOH667 |
Functional Information from PROSITE/UniProt
| site_id | PS00163 |
| Number of Residues | 10 |
| Details | FUMARATE_LYASES Fumarate lyases signature. GSsaMpYKrN |
| Chain | Residue | Details |
| A | GLY288-ASN297 |
