4C9W
Crystal structure of NUDT1 (MTH1) with R-crizotinib
Functional Information from GO Data
| Chain | GOid | namespace | contents |
| A | 0001669 | cellular_component | acrosomal vesicle |
| A | 0003723 | molecular_function | RNA binding |
| A | 0005515 | molecular_function | protein binding |
| A | 0005615 | cellular_component | extracellular space |
| A | 0005634 | cellular_component | nucleus |
| A | 0005737 | cellular_component | cytoplasm |
| A | 0005739 | cellular_component | mitochondrion |
| A | 0005759 | cellular_component | mitochondrial matrix |
| A | 0005829 | cellular_component | cytosol |
| A | 0006152 | biological_process | purine nucleoside catabolic process |
| A | 0006281 | biological_process | DNA repair |
| A | 0006979 | biological_process | response to oxidative stress |
| A | 0008413 | molecular_function | 8-oxo-7,8-dihydroguanosine triphosphate pyrophosphatase activity |
| A | 0008584 | biological_process | male gonad development |
| A | 0008828 | molecular_function | dATP diphosphatase activity |
| A | 0016787 | molecular_function | hydrolase activity |
| A | 0016818 | molecular_function | hydrolase activity, acting on acid anhydrides, in phosphorus-containing anhydrides |
| A | 0030515 | molecular_function | snoRNA binding |
| A | 0031965 | cellular_component | nuclear membrane |
| A | 0035539 | molecular_function | 8-oxo-7,8-dihydrodeoxyguanosine triphosphate pyrophosphatase activity |
| A | 0042262 | biological_process | DNA protection |
| A | 0046686 | biological_process | response to cadmium ion |
| A | 0046872 | molecular_function | metal ion binding |
| A | 0047693 | molecular_function | ATP diphosphatase activity |
| A | 0106377 | molecular_function | 2-hydroxy-ATP hydrolase activity |
| A | 0106378 | molecular_function | 2-hydroxy-dATP hydrolase activity |
| A | 0106431 | molecular_function | N6-methyl-(d)ATP hydrolase activity |
| A | 0106433 | molecular_function | O6-methyl-dGTP hydrolase activity |
| A | 0140933 | molecular_function | 5'-(N(7)-methylguanosine 5'-triphospho)-[mRNA] hydrolase activity |
Functional Information from PDB Data
| site_id | AC1 |
| Number of Residues | 6 |
| Details | BINDING SITE FOR RESIDUE CL A 1157 |
| Chain | Residue |
| A | TYR148 |
| A | TYR148 |
| A | THR149 |
| A | THR149 |
| A | HOH2140 |
| A | HOH2140 |
| site_id | AC2 |
| Number of Residues | 11 |
| Details | BINDING SITE FOR RESIDUE VGH A 1158 |
| Chain | Residue |
| A | PHE72 |
| A | PHE74 |
| A | MET81 |
| A | VAL83 |
| A | TRP117 |
| A | ASP119 |
| A | ASP120 |
| A | HOH2031 |
| A | TYR7 |
| A | PHE27 |
| A | ASN33 |
| site_id | AC3 |
| Number of Residues | 6 |
| Details | BINDING SITE FOR RESIDUE SO4 A 1159 |
| Chain | Residue |
| A | HIS65 |
| A | LYS66 |
| A | HOH2049 |
| A | HOH2076 |
| A | HOH2077 |
| A | HOH2082 |
| site_id | AC4 |
| Number of Residues | 5 |
| Details | BINDING SITE FOR RESIDUE SO4 A 1160 |
| Chain | Residue |
| A | HIS65 |
| A | THR88 |
| A | ASP89 |
| A | SER90 |
| A | HOH2095 |
| site_id | AC5 |
| Number of Residues | 4 |
| Details | BINDING SITE FOR RESIDUE SO4 A 1161 |
| Chain | Residue |
| A | HIS134 |
| A | ARG151 |
| A | HOH2020 |
| A | HOH2154 |
| site_id | AC6 |
| Number of Residues | 6 |
| Details | BINDING SITE FOR RESIDUE SO4 A 1162 |
| Chain | Residue |
| A | LYS138 |
| A | LYS138 |
| A | ASP147 |
| A | ASP147 |
| A | HOH2102 |
| A | HOH2102 |
| site_id | AC7 |
| Number of Residues | 9 |
| Details | BINDING SITE FOR RESIDUE SO4 A 1163 |
| Chain | Residue |
| A | PRO95 |
| A | ARG151 |
| A | VAL153 |
| A | ASP154 |
| A | THR155 |
| A | HOH2019 |
| A | HOH2111 |
| A | HOH2152 |
| A | HOH2155 |
Functional Information from PROSITE/UniProt
| site_id | PS00893 |
| Number of Residues | 22 |
| Details | NUDIX_BOX Nudix box signature. GkvqegEtiedGArRELqEEsG |
| Chain | Residue | Details |
| A | GLY37-GLY58 |
Functional Information from SwissProt/UniProt
| site_id | SWS_FT_FI1 |
| Number of Residues | 4 |
| Details | BINDING: BINDING => ECO:0000269|PubMed:30304478, ECO:0007744|PDB:5OTM |
| Chain | Residue | Details |
| A | THR8 | |
| A | LYS23 | |
| A | ASN33 | |
| A | TRP117 |
| site_id | SWS_FT_FI2 |
| Number of Residues | 1 |
| Details | BINDING: BINDING => ECO:0000269|PubMed:26999531, ECO:0007744|PDB:5FSK |
| Chain | Residue | Details |
| A | PHE27 |
| site_id | SWS_FT_FI3 |
| Number of Residues | 1 |
| Details | BINDING: BINDING => ECO:0000269|PubMed:26999531, ECO:0000269|PubMed:28035004, ECO:0007744|PDB:5FSI, ECO:0007744|PDB:5GHI, ECO:0007744|PDB:5GHM |
| Chain | Residue | Details |
| A | PHE35 |
| site_id | SWS_FT_FI4 |
| Number of Residues | 5 |
| Details | BINDING: BINDING => ECO:0000250|UniProtKB:Q7ZWC3 |
| Chain | Residue | Details |
| A | GLY36 | |
| A | GLU52 | |
| A | GLU55 | |
| A | GLU56 | |
| A | GLU100 |
