4UW1
X-ray crystal structure of human TNKS in complex with a small molecule inhibitor
Functional Information from GO Data
| Chain | GOid | namespace | contents |
| A | 0003950 | molecular_function | NAD+ ADP-ribosyltransferase activity |
| B | 0003950 | molecular_function | NAD+ ADP-ribosyltransferase activity |
| C | 0003950 | molecular_function | NAD+ ADP-ribosyltransferase activity |
| D | 0003950 | molecular_function | NAD+ ADP-ribosyltransferase activity |
| E | 0003950 | molecular_function | NAD+ ADP-ribosyltransferase activity |
| F | 0003950 | molecular_function | NAD+ ADP-ribosyltransferase activity |
| G | 0003950 | molecular_function | NAD+ ADP-ribosyltransferase activity |
| H | 0003950 | molecular_function | NAD+ ADP-ribosyltransferase activity |
Functional Information from PDB Data
| site_id | AC1 |
| Number of Residues | 4 |
| Details | BINDING SITE FOR RESIDUE ZN A 2000 |
| Chain | Residue |
| A | CYS1234 |
| A | HIS1237 |
| A | CYS1242 |
| A | CYS1245 |
| site_id | AC2 |
| Number of Residues | 9 |
| Details | BINDING SITE FOR RESIDUE 92R A 3000 |
| Chain | Residue |
| A | TYR1224 |
| A | ILE1228 |
| A | GLU1291 |
| A | GOL2314 |
| A | HIS1184 |
| A | GLY1185 |
| A | TYR1203 |
| A | TYR1213 |
| A | SER1221 |
| site_id | AC3 |
| Number of Residues | 4 |
| Details | BINDING SITE FOR RESIDUE ZN B 2000 |
| Chain | Residue |
| B | CYS1234 |
| B | HIS1237 |
| B | CYS1242 |
| B | CYS1245 |
| site_id | AC4 |
| Number of Residues | 8 |
| Details | BINDING SITE FOR RESIDUE 92R B 3000 |
| Chain | Residue |
| B | HIS1184 |
| B | GLY1185 |
| B | HIS1201 |
| B | TYR1203 |
| B | TYR1213 |
| B | SER1221 |
| B | TYR1224 |
| B | GLU1291 |
| site_id | AC5 |
| Number of Residues | 4 |
| Details | BINDING SITE FOR RESIDUE ZN C 2000 |
| Chain | Residue |
| C | CYS1234 |
| C | HIS1237 |
| C | CYS1242 |
| C | CYS1245 |
| site_id | AC6 |
| Number of Residues | 12 |
| Details | BINDING SITE FOR RESIDUE 92R C 3000 |
| Chain | Residue |
| A | ASN1285 |
| C | HIS1184 |
| C | GLY1185 |
| C | SER1186 |
| C | ALA1202 |
| C | TYR1213 |
| C | PHE1214 |
| C | ALA1215 |
| C | SER1221 |
| C | TYR1224 |
| C | GLU1291 |
| C | GOL2315 |
| site_id | AC7 |
| Number of Residues | 4 |
| Details | BINDING SITE FOR RESIDUE ZN D 2000 |
| Chain | Residue |
| D | CYS1234 |
| D | HIS1237 |
| D | CYS1242 |
| D | CYS1245 |
| site_id | AC8 |
| Number of Residues | 10 |
| Details | BINDING SITE FOR RESIDUE 92R D 3000 |
| Chain | Residue |
| B | ASN1285 |
| D | HIS1184 |
| D | GLY1185 |
| D | TYR1203 |
| D | TYR1213 |
| D | ALA1215 |
| D | TYR1224 |
| D | ILE1228 |
| D | GLU1291 |
| D | GOL2316 |
| site_id | AC9 |
| Number of Residues | 4 |
| Details | BINDING SITE FOR RESIDUE ZN E 2000 |
| Chain | Residue |
| E | CYS1234 |
| E | HIS1237 |
| E | CYS1242 |
| E | CYS1245 |
| site_id | BC1 |
| Number of Residues | 11 |
| Details | BINDING SITE FOR RESIDUE 92R E 3000 |
| Chain | Residue |
| E | HIS1184 |
| E | GLY1185 |
| E | SER1186 |
| E | HIS1201 |
| E | TYR1203 |
| E | TYR1213 |
| E | ALA1215 |
| E | LYS1220 |
| E | SER1221 |
| E | TYR1224 |
| E | GLU1291 |
| site_id | BC2 |
| Number of Residues | 4 |
| Details | BINDING SITE FOR RESIDUE ZN F 2000 |
| Chain | Residue |
| F | CYS1234 |
| F | HIS1237 |
| F | CYS1242 |
| F | CYS1245 |
| site_id | BC3 |
| Number of Residues | 10 |
| Details | BINDING SITE FOR RESIDUE 92R F 3000 |
| Chain | Residue |
| F | HIS1184 |
| F | GLY1185 |
| F | SER1186 |
| F | HIS1201 |
| F | TYR1203 |
| F | TYR1213 |
| F | ALA1215 |
| F | SER1221 |
| F | TYR1224 |
| F | GLU1291 |
| site_id | BC4 |
| Number of Residues | 4 |
| Details | BINDING SITE FOR RESIDUE ZN G 2000 |
| Chain | Residue |
| G | CYS1234 |
| G | HIS1237 |
| G | CYS1242 |
| G | CYS1245 |
| site_id | BC5 |
| Number of Residues | 9 |
| Details | BINDING SITE FOR RESIDUE 92R G 3000 |
| Chain | Residue |
| G | HIS1184 |
| G | GLY1185 |
| G | SER1186 |
| G | PHE1188 |
| G | TYR1203 |
| G | TYR1213 |
| G | SER1221 |
| G | TYR1224 |
| G | GLU1291 |
| site_id | BC6 |
| Number of Residues | 4 |
| Details | BINDING SITE FOR RESIDUE ZN H 2000 |
| Chain | Residue |
| H | CYS1242 |
| H | CYS1245 |
| H | CYS1234 |
| H | HIS1237 |
| site_id | BC7 |
| Number of Residues | 8 |
| Details | BINDING SITE FOR RESIDUE 92R H 3000 |
| Chain | Residue |
| H | HIS1184 |
| H | GLY1185 |
| H | HIS1201 |
| H | TYR1203 |
| H | TYR1213 |
| H | SER1221 |
| H | TYR1224 |
| H | GLU1291 |
| site_id | BC8 |
| Number of Residues | 5 |
| Details | BINDING SITE FOR RESIDUE GOL D 2316 |
| Chain | Residue |
| D | HIS1184 |
| D | ILE1192 |
| D | ASP1198 |
| D | HIS1201 |
| D | 92R3000 |
| site_id | BC9 |
| Number of Residues | 4 |
| Details | BINDING SITE FOR RESIDUE GOL C 2315 |
| Chain | Residue |
| C | HIS1184 |
| C | SER1186 |
| C | ASP1198 |
| C | 92R3000 |
| site_id | CC1 |
| Number of Residues | 6 |
| Details | BINDING SITE FOR RESIDUE GOL A 2314 |
| Chain | Residue |
| A | SER1186 |
| A | PHE1188 |
| A | ILE1192 |
| A | ASP1198 |
| A | HIS1201 |
| A | 92R3000 |
| site_id | CC2 |
| Number of Residues | 1 |
| Details | BINDING SITE FOR RESIDUE EDO A 2315 |
| Chain | Residue |
| A | PHE1142 |
| site_id | CC3 |
| Number of Residues | 1 |
| Details | BINDING SITE FOR RESIDUE EDO C 2316 |
| Chain | Residue |
| C | LYS1267 |
| site_id | CC4 |
| Number of Residues | 7 |
| Details | BINDING SITE FOR RESIDUE EDO G 2314 |
| Chain | Residue |
| A | GLU1199 |
| G | HIS1270 |
| G | ALA1271 |
| G | HIS1276 |
| G | TYR1295 |
| G | ARG1296 |
| G | GLN1299 |
Functional Information from SwissProt/UniProt
| site_id | SWS_FT_FI1 |
| Number of Residues | 32 |
| Details | BINDING: BINDING => ECO:0000269|PubMed:18436240, ECO:0007744|PDB:2RF5, ECO:0007744|PDB:3UDD, ECO:0007744|PDB:3UH2, ECO:0007744|PDB:3UH4, ECO:0007744|PDB:4DVI, ECO:0007744|PDB:4I9I, ECO:0007744|PDB:4K4E, ECO:0007744|PDB:4K4F, ECO:0007744|PDB:4KRS, ECO:0007744|PDB:4LI6, ECO:0007744|PDB:4LI8, ECO:0007744|PDB:4MSG, ECO:0007744|PDB:4MSK, ECO:0007744|PDB:4MT9, ECO:0007744|PDB:4N3R, ECO:0007744|PDB:4N4V, ECO:0007744|PDB:4OA7, ECO:0007744|PDB:4TOR, ECO:0007744|PDB:4TOS, ECO:0007744|PDB:4W5S, ECO:0007744|PDB:4W6E |
| Chain | Residue | Details |
| A | CYS1234 | |
| C | HIS1237 | |
| C | CYS1242 | |
| C | CYS1245 | |
| D | CYS1234 | |
| D | HIS1237 | |
| D | CYS1242 | |
| D | CYS1245 | |
| E | CYS1234 | |
| E | HIS1237 | |
| E | CYS1242 | |
| A | HIS1237 | |
| E | CYS1245 | |
| F | CYS1234 | |
| F | HIS1237 | |
| F | CYS1242 | |
| F | CYS1245 | |
| G | CYS1234 | |
| G | HIS1237 | |
| G | CYS1242 | |
| G | CYS1245 | |
| H | CYS1234 | |
| A | CYS1242 | |
| H | HIS1237 | |
| H | CYS1242 | |
| H | CYS1245 | |
| A | CYS1245 | |
| B | CYS1234 | |
| B | HIS1237 | |
| B | CYS1242 | |
| B | CYS1245 | |
| C | CYS1234 |
