8H3E
Complex structure of a small molecule (SPC-14) bound SARS-CoV-2 spike protein, closed state
Entity
| Entity ID | Chain ID | Description | Type | Chain length | Formula weight | Number of molecules | DB Name (Accession) | Biological source | Descriptive keywords |
| 1 | A, B, C (A, B, C) | Spike glycoprotein,Fibritin | polymer | 1276 | 141338.4 | 3 | UniProt (P0DTC2) UniProt (P10104) Pfam (PF16451) Pfam (PF09408) Pfam (PF19209) Pfam (PF01601) | Severe acute respiratory syndrome coronavirus 2 | S glycoprotein,E2,Peplomer protein,Collar protein,Whisker antigen control protein |
| 2 | D, J, P (A, B, C) | 7-(6-nitro-2,3-dihydroindol-1-yl)-7-oxidanylidene-heptanoic acid | non-polymer | 306.3 | 3 | Chemie (Q83) | |||
| 3 | E, F, G, H, I... (A, B, C) | 2-acetamido-2-deoxy-beta-D-glucopyranose | non-polymer | 221.2 | 15 | Chemie (NAG) |
Sequence modifications
A, B, C: 1 - 1211 (UniProt: P0DTC2)
A, B, C: 1226 - 1253 (UniProt: P10104)
| PDB | External Database | Details |
|---|---|---|
| Ser 682 | Arg 682 | engineered mutation |
| Gly 683 | Arg 683 | engineered mutation |
| Gly 685 | Arg 685 | engineered mutation |
| Pro 986 | Lys 986 | engineered mutation |
| Pro 987 | Val 987 | engineered mutation |
| Ser 1212 | - | linker |
| Gly 1213 | - | linker |
| Arg 1214 | - | linker |
| Glu 1215 | - | linker |
| Asn 1216 | - | linker |
| Leu 1217 | - | linker |
| Tyr 1218 | - | linker |
| Phe 1219 | - | linker |
| Gln 1220 | - | linker |
| Gly 1221 | - | linker |
| Gly 1222 | - | linker |
| Gly 1223 | - | linker |
| Gly 1224 | - | linker |
| Ser 1225 | - | linker |
| PDB | External Database | Details |
|---|---|---|
| Leu 1247 | Phe 479 | engineered mutation |
| Gly 1254 | - | expression tag |
| Gly 1255 | - | expression tag |
| Gly 1256 | - | expression tag |
| His 1257 | - | expression tag |
| His 1258 | - | expression tag |
| His 1259 | - | expression tag |
| His 1260 | - | expression tag |
| His 1261 | - | expression tag |
| His 1262 | - | expression tag |
| His 1263 | - | expression tag |
| His 1264 | - | expression tag |
| Glu 1265 | - | expression tag |
| Asp 1266 | - | expression tag |
| Gln 1267 | - | expression tag |
| Val 1268 | - | expression tag |
| Asp 1269 | - | expression tag |
| Pro 1270 | - | expression tag |
| Arg 1271 | - | expression tag |
| Leu 1272 | - | expression tag |
| Ile 1273 | - | expression tag |
| Asp 1274 | - | expression tag |
| Gly 1275 | - | expression tag |
| Lys 1276 | - | expression tag |
Sequence viewer
Contents of the asymmetric unit
| Polymers | Number of chains | 3 |
| Total formula weight | 424015.1 | |
| Non-Polymers* | Number of molecules | 18 |
| Total formula weight | 4237.1 | |
| All* | Total formula weight | 428252.1 |
