7DMU
Structure of SARS-CoV-2 spike receptor-binding domain complexed with high affinity ACE2 mutant 3N39
Entity
| Entity ID | Chain ID | Description | Type | Chain length | Formula weight | Number of molecules | DB Name (Accession) | Biological source | Descriptive keywords |
| 1 | A, C (A, C) | Angiotensin-converting enzyme 2 | polymer | 606 | 70354.9 | 2 | UniProt (Q9BYF1) Pfam (PF01401) | Homo sapiens (Human) | Angiotensin-converting enzyme homolog,ACEH,Angiotensin-converting enzyme-related carboxypeptidase,ACE-related carboxypeptidase,Metalloprotease MPROT15 |
| 2 | B, D (B, D) | Spike protein S1 | polymer | 218 | 24401.5 | 2 | UniProt (P0DTC2) Pfam (PF09408) | Severe acute respiratory syndrome coronavirus 2 (2019-nCoV) | S glycoprotein,E2,Peplomer protein,Spike glycoprotein |
| 3 | E (E) | 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 | 1 | In PDB GlyTouCan (G10756ZZ) | |||
| 4 | F, G, K, M (F, G, K, M) | 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose | branched | 424.4 | 4 | In PDB GlyTouCan (G42666HT) | |||
| 5 | H, J, L (H, J, L) | 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 | 3 | In PDB GlyTouCan (G22768VO) | |||
| 6 | I (I) | beta-D-mannopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose | branched | 586.5 | 1 | In PDB GlyTouCan (G15407YE) | |||
| 7 | N, Q, R (A, C) | 2-acetamido-2-deoxy-beta-D-glucopyranose | non-polymer | 221.2 | 3 | Chemie (NAG) | |||
| 8 | O, S (A, C) | ZINC ION | non-polymer | 65.4 | 2 | Chemie (ZN) | |||
| 9 | P, T (A, C) | SULFATE ION | non-polymer | 96.1 | 2 | Chemie (SO4) | |||
| 10 | U, V (A, C) | water | water | 18.0 | 2 | Chemie (HOH) |
Sequence modifications
A, C: 18 - 615 (UniProt: Q9BYF1)
B, D: 319 - 531 (UniProt: P0DTC2)
| PDB | External Database | Details |
|---|---|---|
| Val 25 | Ala 25 | engineered mutation |
| Glu 26 | Lys 26 | engineered mutation |
| Asn 31 | Lys 31 | engineered mutation |
| Lys 35 | Glu 35 | engineered mutation |
| Ile 64 | Asn 64 | engineered mutation |
| Phe 79 | Leu 79 | engineered mutation |
| His 90 | Asn 90 | engineered mutation |
| Ser 616 | - | expression tag |
| Ser 617 | - | expression tag |
| His 618 | - | expression tag |
| His 619 | - | expression tag |
| His 620 | - | expression tag |
| His 621 | - | expression tag |
| His 622 | - | expression tag |
| His 623 | - | expression tag |
| PDB | External Database | Details |
|---|---|---|
| Gly 532 | - | expression tag |
| Thr 533 | - | expression tag |
| Leu 534 | - | expression tag |
| Leu 535 | - | expression tag |
| Gly 536 | - | expression tag |
Sequence viewer
Contents of the asymmetric unit
| Polymers | Number of chains | 4 |
| Total formula weight | 189512.8 | |
| Branched | Number of molecules | 9 |
| Total formula weight | 5927.4 | |
| Non-Polymers* | Number of molecules | 7 |
| Total formula weight | 986.6 | |
| All* | Total formula weight | 196426.8 |
