7ALE
Crystal structure of human PAICS in complex with inhibitor 69
Functional Information from GO Data
| Chain | GOid | namespace | contents |
| A | 0004638 | molecular_function | phosphoribosylaminoimidazole carboxylase activity |
| A | 0004639 | molecular_function | phosphoribosylaminoimidazolesuccinocarboxamide synthase activity |
| A | 0005515 | molecular_function | protein binding |
| A | 0005524 | molecular_function | ATP binding |
| A | 0005737 | cellular_component | cytoplasm |
| A | 0005829 | cellular_component | cytosol |
| A | 0006164 | biological_process | purine nucleotide biosynthetic process |
| A | 0006177 | biological_process | GMP biosynthetic process |
| A | 0006189 | biological_process | 'de novo' IMP biosynthetic process |
| A | 0009113 | biological_process | purine nucleobase biosynthetic process |
| A | 0016020 | cellular_component | membrane |
| A | 0016831 | molecular_function | carboxy-lyase activity |
| A | 0016874 | molecular_function | ligase activity |
| A | 0042802 | molecular_function | identical protein binding |
| A | 0043727 | molecular_function | 5-amino-4-imidazole carboxylate lyase activity |
| A | 0044208 | biological_process | 'de novo' AMP biosynthetic process |
| A | 0045296 | molecular_function | cadherin binding |
| A | 0070062 | cellular_component | extracellular exosome |
| A | 0097294 | biological_process | 'de novo' XMP biosynthetic process |
| B | 0004638 | molecular_function | phosphoribosylaminoimidazole carboxylase activity |
| B | 0004639 | molecular_function | phosphoribosylaminoimidazolesuccinocarboxamide synthase activity |
| B | 0005515 | molecular_function | protein binding |
| B | 0005524 | molecular_function | ATP binding |
| B | 0005737 | cellular_component | cytoplasm |
| B | 0005829 | cellular_component | cytosol |
| B | 0006164 | biological_process | purine nucleotide biosynthetic process |
| B | 0006177 | biological_process | GMP biosynthetic process |
| B | 0006189 | biological_process | 'de novo' IMP biosynthetic process |
| B | 0009113 | biological_process | purine nucleobase biosynthetic process |
| B | 0016020 | cellular_component | membrane |
| B | 0016831 | molecular_function | carboxy-lyase activity |
| B | 0016874 | molecular_function | ligase activity |
| B | 0042802 | molecular_function | identical protein binding |
| B | 0043727 | molecular_function | 5-amino-4-imidazole carboxylate lyase activity |
| B | 0044208 | biological_process | 'de novo' AMP biosynthetic process |
| B | 0045296 | molecular_function | cadherin binding |
| B | 0070062 | cellular_component | extracellular exosome |
| B | 0097294 | biological_process | 'de novo' XMP biosynthetic process |
Functional Information from PDB Data
| site_id | AC1 |
| Number of Residues | 11 |
| Details | binding site for residue RLK A 501 |
| Chain | Residue |
| A | LEU13 |
| A | MET93 |
| A | ASP207 |
| A | TYR14 |
| A | LEU33 |
| A | ALA76 |
| A | PHE86 |
| A | ALA88 |
| A | PRO89 |
| A | GLN90 |
| A | CYS91 |
| site_id | AC2 |
| Number of Residues | 12 |
| Details | binding site for residue OK8 A 502 |
| Chain | Residue |
| A | THR40 |
| A | GLY42 |
| A | GLU97 |
| A | ARG101 |
| A | SER107 |
| A | ASP189 |
| A | ASP212 |
| A | SER213 |
| A | TRP214 |
| A | ARG215 |
| A | LYS228 |
| A | ARG232 |
| site_id | AC3 |
| Number of Residues | 12 |
| Details | binding site for residue RLK B 501 |
| Chain | Residue |
| B | LEU13 |
| B | TYR14 |
| B | PHE65 |
| B | ALA76 |
| B | ALA88 |
| B | PRO89 |
| B | GLN90 |
| B | CYS91 |
| B | GLU92 |
| B | MET93 |
| B | ALA206 |
| B | ASP207 |
| site_id | AC4 |
| Number of Residues | 15 |
| Details | binding site for residue OK8 B 502 |
| Chain | Residue |
| B | LYS17 |
| B | THR40 |
| B | ALA41 |
| B | GLY42 |
| B | GLU97 |
| B | ARG101 |
| B | SER107 |
| B | ASP189 |
| B | LYS191 |
| B | ASP212 |
| B | SER213 |
| B | TRP214 |
| B | ARG215 |
| B | LYS228 |
| B | ARG232 |
Functional Information from PROSITE/UniProt
Functional Information from SwissProt/UniProt
| site_id | SWS_FT_FI1 |
| Number of Residues | 2 |
| Details | BINDING: BINDING => ECO:0000269|PubMed:17224163, ECO:0007744|PDB:2H31 |
| Chain | Residue | Details |
| A | SER332 | |
| B | SER332 |
| site_id | SWS_FT_FI2 |
| Number of Residues | 2 |
| Details | MOD_RES: N-acetylalanine => ECO:0000269|Ref.6, ECO:0007744|PubMed:19413330, ECO:0007744|PubMed:22223895 |
| Chain | Residue | Details |
| A | ALA2 | |
| B | ALA2 |
| site_id | SWS_FT_FI3 |
| Number of Residues | 2 |
| Details | MOD_RES: Phosphotyrosine => ECO:0000250|UniProtKB:Q9DCL9 |
| Chain | Residue | Details |
| A | TYR22 | |
| B | TYR22 |
| site_id | SWS_FT_FI4 |
| Number of Residues | 2 |
| Details | MOD_RES: Phosphoserine => ECO:0007744|PubMed:16964243, ECO:0007744|PubMed:17924679, ECO:0007744|PubMed:18669648, ECO:0007744|PubMed:18691976, ECO:0007744|PubMed:19369195, ECO:0007744|PubMed:19690332, ECO:0007744|PubMed:20068231, ECO:0007744|PubMed:21406692, ECO:0007744|PubMed:23186163 |
| Chain | Residue | Details |
| A | SER27 | |
| B | SER27 |
| site_id | SWS_FT_FI5 |
| Number of Residues | 2 |
| Details | MOD_RES: N6-acetyllysine => ECO:0000250|UniProtKB:Q9DCL9 |
| Chain | Residue | Details |
| A | LYS36 | |
| B | LYS36 |
| site_id | SWS_FT_FI6 |
| Number of Residues | 2 |
| Details | MOD_RES: Phosphoserine => ECO:0007744|PubMed:18669648, ECO:0007744|PubMed:23186163 |
| Chain | Residue | Details |
| A | SER107 | |
| B | SER107 |
| site_id | SWS_FT_FI7 |
| Number of Residues | 2 |
| Details | MOD_RES: Phosphothreonine => ECO:0007744|PubMed:18691976, ECO:0007744|PubMed:23186163 |
| Chain | Residue | Details |
| A | THR238 | |
| B | THR238 |
| site_id | SWS_FT_FI8 |
| Number of Residues | 2 |
| Details | MOD_RES: N6-acetyllysine => ECO:0007744|PubMed:19608861 |
| Chain | Residue | Details |
| A | LYS247 | |
| B | LYS247 |
| site_id | SWS_FT_FI9 |
| Number of Residues | 2 |
| Details | MOD_RES: Phosphoserine => ECO:0007744|PubMed:23186163, ECO:0007744|PubMed:24275569 |
| Chain | Residue | Details |
| A | SER274 | |
| B | SER274 |
