7SN0
Crystal structure of spike protein receptor binding domain of escape mutant SARS-CoV-2 from immunocompromised patient (d146*) in complex with human receptor ACE2
Entity
| Entity ID | Chain ID | Description | Type | Chain length | Formula weight | Number of molecules | DB Name (Accession) | Biological source | Descriptive keywords |
| 1 | A, B (A, B) | Angiotensin-converting enzyme 2 | polymer | 621 | 71828.7 | 2 | UniProt (Q9BYF1) Pfam (PF01401) | Homo sapiens (Human) | Angiotensin-converting enzyme homolog,ACEH,Angiotensin-converting enzyme-related carboxypeptidase,ACE-related carboxypeptidase,Metalloprotease MPROT15 |
| 2 | C, D (C, D) | Surface glycoprotein | polymer | 271 | 30208.4 | 2 | UniProt (A0A7U0MIF7) Pfam (PF09408) UniProt (by SIFTS) (P0DTC2) | Severe acute respiratory syndrome coronavirus 2 (2019-nCoV SARS-CoV-2) | |
| 3 | E, J (E, J) | alpha-D-mannopyranose-(1-3)-[alpha-D-mannopyranose-(1-6)]beta-D-mannopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose | branched | 910.8 | 2 | In PDB GlyTouCan (G22768VO) | |||
| 4 | F, G, N, Q (F, G, N, Q) | beta-D-mannopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose | branched | 586.5 | 4 | In PDB GlyTouCan (G15407YE) | |||
| 5 | H (H) | beta-D-galactopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-[2-acetamido-2-deoxy-beta-D-glucopyranose-(1-2)]alpha-D-mannopyranose-(1-3)-[beta-D-galactopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-alpha-D-mannopyranose-(1-6)]beta-D-mannopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose | branched | 1844.7 | 1 | In PDB GlyTouCan (G80728XN) | |||
| 6 | I (I) | beta-D-galactopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose-(1-2)-[beta-D-galactopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)]alpha-D-mannopyranose-(1-3)-[2-acetamido-2-deoxy-beta-D-glucopyranose-(1-2)-alpha-D-mannopyranose-(1-6)]beta-D-mannopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose | branched | 1844.7 | 1 | In PDB GlyTouCan (G06969ZX) | |||
| 7 | K (K) | 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-2)-alpha-D-mannopyranose-(1-3)-[alpha-D-mannopyranose-(1-6)]beta-D-mannopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose | branched | 1114.0 | 1 | In PDB GlyTouCan (G61751GZ) | |||
| 8 | L, P (L, P) | 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose | branched | 424.4 | 2 | In PDB GlyTouCan (G42666HT) | |||
| 9 | M (M) | 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-alpha-D-mannopyranose-(1-3)-[alpha-D-mannopyranose-(1-6)]beta-D-mannopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose | branched | 1114.0 | 1 | In PDB GlyTouCan (G29905OR) | |||
| 10 | O (O) | beta-D-galactopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-[2-acetamido-2-deoxy-beta-D-glucopyranose-(1-2)]alpha-D-mannopyranose-(1-3)-[2-acetamido-2-deoxy-beta-D-glucopyranose-(1-2)-alpha-D-mannopyranose-(1-6)]beta-D-mannopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose | branched | 1682.5 | 1 | In PDB GlyTouCan (G91208VE) | |||
| 11 | R, U (A, B) | ZINC ION | non-polymer | 65.4 | 2 | Chemie (ZN) | |||
| 12 | S, V (A, B) | CHLORIDE ION | non-polymer | 35.5 | 2 | Chemie (CL) | |||
| 13 | T (A) | 2-acetamido-2-deoxy-beta-D-glucopyranose | non-polymer | 221.2 | 1 | Chemie (NAG) |
Sequence modifications
A, B: 1 - 615 (UniProt: Q9BYF1)
C, D: 319 - 541 (UniProt: A0A7U0MIF7)
| PDB | External Database | Details |
|---|---|---|
| His 616 | - | expression tag |
| His 617 | - | expression tag |
| His 618 | - | expression tag |
| His 619 | - | expression tag |
| His 620 | - | expression tag |
| His 621 | - | expression tag |
| PDB | External Database | Details |
|---|---|---|
| Met 271 | - | initiating methionine |
| Gly 272 | - | expression tag |
| Ile 273 | - | expression tag |
| Leu 274 | - | expression tag |
| Pro 275 | - | expression tag |
| Ser 276 | - | expression tag |
| Pro 277 | - | expression tag |
| Gly 278 | - | expression tag |
| Met 279 | - | expression tag |
| Pro 280 | - | expression tag |
| Ala 281 | - | expression tag |
| Leu 282 | - | expression tag |
| Leu 283 | - | expression tag |
| Ser 284 | - | expression tag |
| Leu 285 | - | expression tag |
| Val 286 | - | expression tag |
| Ser 287 | - | expression tag |
| Leu 288 | - | expression tag |
| Leu 289 | - | expression tag |
| Ser 290 | - | expression tag |
| Val 291 | - | expression tag |
| Leu 292 | - | expression tag |
| Leu 293 | - | expression tag |
| Met 294 | - | expression tag |
| Gly 295 | - | expression tag |
| Cys 296 | - | expression tag |
| Val 297 | - | expression tag |
| Ala 298 | - | expression tag |
| Glu 299 | - | expression tag |
| Thr 300 | - | expression tag |
| Gly 301 | - | expression tag |
| His 302 | - | expression tag |
| His 303 | - | expression tag |
| His 304 | - | expression tag |
| His 305 | - | expression tag |
| His 306 | - | expression tag |
| His 307 | - | expression tag |
| Glu 308 | - | expression tag |
| Asn 309 | - | expression tag |
| Leu 310 | - | expression tag |
| Tyr 311 | - | expression tag |
| Phe 312 | - | expression tag |
| Gln 313 | - | expression tag |
| Gly 314 | - | expression tag |
| Ser 315 | - | expression tag |
| Gly 316 | - | expression tag |
| Ser 317 | - | expression tag |
| Gly 318 | - | expression tag |
| Asp 440 | Asn 437 | engineered mutation |
| Lys 478 | Thr 475 | engineered mutation |
| His 489 | Tyr 486 | engineered mutation |
| Pro 494 | Ser 491 | engineered mutation |
Sequence viewer
Contents of the asymmetric unit
| Polymers | Number of chains | 4 |
| Total formula weight | 204074.1 | |
| Branched | Number of molecules | 13 |
| Total formula weight | 12616.6 | |
| Non-Polymers* | Number of molecules | 5 |
| Total formula weight | 422.9 | |
| All* | Total formula weight | 217113.6 |
