9DLW
Crystal structure of the ternary complex of DCAF1 and WDR5 with PROTAC, OICR-41114
This is a non-PDB format compatible entry.
Entity
| Entity ID | Chain ID | Description | Type | Chain length | Formula weight | Number of molecules | DB Name (Accession) | Biological source | Descriptive keywords |
| 1 | A (B) | DDB1- and CUL4-associated factor 1 | polymer | 338 | 38298.8 | 1 | UniProt (Q9Y4B6) | Homo sapiens (human) | HIV-1 Vpr-binding protein,VprBP,Serine/threonine-protein kinase VPRBP,Vpr-interacting protein |
| 2 | B (A) | WD repeat-containing protein 5 | polymer | 329 | 36433.2 | 1 | UniProt (P61964) Pfam (PF00400) | Homo sapiens (human) | BMP2-induced 3-kb gene protein |
| 3 | C (B) | N-{(1P)-5'-({(32E)-33-[(3P)-4-{[(1S)-3-amino-1-(3-chloro-4-fluorophenyl)-3-oxopropyl]carbamoyl}-3-(4-chloro-2-fluorophenyl)-1H-pyrrol-2-yl]-31-oxo-3,6,9,12,15,18,21,24,27-nonaoxa-30-azatritriacont-32-en-1-yl}carbamoyl)-2'-fluoro-4-[(3R,5S)-3,4,5-trimethylpiperazin-1-yl][1,1'-biphenyl]-3-yl}-6-oxo-4-(trifluoromethyl)-1,6-dihydropyridine-3-carboxamide | non-polymer | 1475.4 | 1 | Chemie (A1BAF) | |||
| 4 | D, E (B, A) | water | water | 18.0 | 419 | Chemie (HOH) |
Sequence modifications
B: 1080 - 1390 (UniProt: Q9Y4B6)
A: 24 - 334 (UniProt: P61964)
| PDB | External Database | Details |
|---|---|---|
| Met 1053 | - | initiating methionine |
| Gly 1054 | - | expression tag |
| Ser 1055 | - | expression tag |
| Ser 1056 | - | expression tag |
| His 1057 | - | expression tag |
| His 1058 | - | expression tag |
| His 1059 | - | expression tag |
| His 1060 | - | expression tag |
| His 1061 | - | expression tag |
| His 1062 | - | expression tag |
| Ser 1063 | - | expression tag |
| Ser 1064 | - | expression tag |
| Gly 1065 | - | expression tag |
| Arg 1066 | - | expression tag |
| Glu 1067 | - | expression tag |
| Asn 1068 | - | expression tag |
| Leu 1069 | - | expression tag |
| Tyr 1070 | - | expression tag |
| Phe 1071 | - | expression tag |
| Gln 1072 | - | expression tag |
| Gly 1073 | - | expression tag |
| Ser 1074 | - | expression tag |
| Ser 1075 | - | expression tag |
| Arg 1076 | - | expression tag |
| Ala 1077 | - | expression tag |
| Ser 1078 | - | expression tag |
| Ala 1079 | - | expression tag |
| PDB | External Database | Details |
|---|---|---|
| Met 6 | - | initiating methionine |
| His 7 | - | expression tag |
| His 8 | - | expression tag |
| His 9 | - | expression tag |
| His 10 | - | expression tag |
| His 11 | - | expression tag |
| His 12 | - | expression tag |
| Ser 13 | - | expression tag |
| Ser 14 | - | expression tag |
| Gly 15 | - | expression tag |
| Arg 16 | - | expression tag |
| Glu 17 | - | expression tag |
| Asn 18 | - | expression tag |
| Leu 19 | - | expression tag |
| Tyr 20 | - | expression tag |
| Phe 21 | - | expression tag |
| Gln 22 | - | expression tag |
| Gly 23 | - | expression tag |
Sequence viewer
Contents of the asymmetric unit
| Polymers | Number of chains | 2 |
| Total formula weight | 74732.0 | |
| Non-Polymers* | Number of molecules | 1 |
| Total formula weight | 1475.4 | |
| All* | Total formula weight | 76207.4 |
