8P9Y
SARS-CoV-2 S protein S:D614G mutant in 3-down with binding site of an entry inhibitor
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 | Spike protein S1,Spike glycoprotein | polymer | 1270 | 140904.1 | 3 | UniProt (P0DTC2) Pfam (PF16451) Pfam (PF09408) Pfam (PF19209) Pfam (PF01601) In PDB | Severe acute respiratory syndrome coronavirus 2 | S glycoprotein,E2,Peplomer protein |
2 | D, E, F, G, H... | 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose | branched | 424.4 | 10 | In PDB GlyTouCan (G42666HT) | |||
3 | B, C, A | 2-acetamido-2-deoxy-beta-D-glucopyranose | non-polymer | 221.2 | 24 | Chemie (NAG) | |||
4 | C, A | SODIUM ION | non-polymer | 23.0 | 3 | Chemie (NA) | |||
5 | C | [(2~{S})-2-[[4-(2-azanylethanoylamino)-7-[[(2~{S})-3-[2-(4-nitrophenyl)sulfanyl-1~{H}-indol-3-yl]-1-oxidanylidene-1-sodiooxy-propan-2-yl]amino]-4-[3-[[(2~{S})-3-[2-(4-nitrophenyl)sulfanyl-1~{H}-indol-3-yl]-1-oxidanylidene-1-sodiooxy-propan-2-yl]amino]-3-oxidanylidene-propyl]-7-oxidanylidene-heptanoyl]amino]-3-[2-(4-nitrophenyl)sulfanyl-1~{H}-indol-3-yl]propanoyl]oxysodium | non-polymer | 1322.4 | 1 | Chemie (XIO) |
Sequence modifications
A, B, C: 15 - 684 (UniProt: P0DTC2)
A, B, C: 685 - 1213 (UniProt: P0DTC2)
PDB | External Database | Details |
---|---|---|
Met -5 | - | initiating methionine |
Val -4 | - | expression tag |
Ser -3 | - | expression tag |
Ala -2 | - | expression tag |
Ile -1 | - | expression tag |
Val 0 | - | expression tag |
Leu 1 | - | expression tag |
Tyr 2 | - | expression tag |
Val 3 | - | expression tag |
Leu 4 | - | expression tag |
Leu 5 | - | expression tag |
Ala 6 | - | expression tag |
Ala 7 | - | expression tag |
Ala 8 | - | expression tag |
Ala 9 | - | expression tag |
His 10 | - | expression tag |
Ser 11 | - | expression tag |
Ala 12 | - | expression tag |
Phe 13 | - | expression tag |
Ala 14 | - | expression tag |
Gly 614 | Asp 614 | engineered mutation |
PDB | External Database | Details |
---|---|---|
Ala 685 | Arg 685 | engineered mutation |
Pro 986 | Lys 986 | engineered mutation |
Pro 987 | Val 987 | engineered mutation |
Leu 1214 | - | expression tag |
Val 1215 | - | expression tag |
Pro 1216 | - | expression tag |
Arg 1217 | - | expression tag |
Gly 1218 | - | expression tag |
Ser 1219 | - | expression tag |
Gly 1220 | - | expression tag |
Tyr 1221 | - | expression tag |
Ile 1222 | - | expression tag |
Pro 1223 | - | expression tag |
Glu 1224 | - | expression tag |
Ala 1225 | - | expression tag |
Pro 1226 | - | expression tag |
Arg 1227 | - | expression tag |
Asp 1228 | - | expression tag |
Gly 1229 | - | expression tag |
Gln 1230 | - | expression tag |
Ala 1231 | - | expression tag |
Tyr 1232 | - | expression tag |
Val 1233 | - | expression tag |
Arg 1234 | - | expression tag |
Lys 1235 | - | expression tag |
Asp 1236 | - | expression tag |
Gly 1237 | - | expression tag |
Glu 1238 | - | expression tag |
Trp 1239 | - | expression tag |
Val 1240 | - | expression tag |
Phe 1241 | - | expression tag |
Leu 1242 | - | expression tag |
Ser 1243 | - | expression tag |
Thr 1244 | - | expression tag |
Phe 1245 | - | expression tag |
Leu 1246 | - | expression tag |
Ser 1247 | - | expression tag |
Pro 1248 | - | expression tag |
His 1249 | - | expression tag |
His 1250 | - | expression tag |
His 1251 | - | expression tag |
His 1252 | - | expression tag |
His 1253 | - | expression tag |
His 1254 | - | expression tag |
His 1255 | - | expression tag |
His 1256 | - | expression tag |
His 1257 | - | expression tag |
Glu 1258 | - | expression tag |
Gln 1259 | - | expression tag |
Lys 1260 | - | expression tag |
Leu 1261 | - | expression tag |
Ile 1262 | - | expression tag |
Ser 1263 | - | expression tag |
Glu 1264 | - | expression tag |
Glu 1265 | - | expression tag |
Asp 1266 | - | expression tag |
Leu 1267 | - | expression tag |
Sequence viewer
Contents of the asymmetric unit
Polymers | Number of chains | 3 |
Total formula weight | 422712.3 | |
Branched | Number of molecules | 10 |
Total formula weight | 4244.0 | |
Non-Polymers* | Number of molecules | 28 |
Total formula weight | 6700.4 | |
All* | Total formula weight | 433656.7 |