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 | Angiotensin-converting enzyme 2 | polymer | 606 | 70354.9 | 2 | UniProt (Q9BYF1) Pfam (PF01401) In PDB | Homo sapiens (Human) | Angiotensin-converting enzyme homolog,ACEH,Angiotensin-converting enzyme-related carboxypeptidase,ACE-related carboxypeptidase,Metalloprotease MPROT15 |
2 | B, D | Spike protein S1 | polymer | 218 | 24401.5 | 2 | UniProt (P0DTC2) Pfam (PF09408) In PDB | Severe acute respiratory syndrome coronavirus 2 (2019-nCoV) | S glycoprotein,E2,Peplomer protein,Spike glycoprotein |
3 | 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 | 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 | 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 | 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 | A, C | 2-acetamido-2-deoxy-beta-D-glucopyranose | non-polymer | 221.2 | 3 | Chemie (NAG) | |||
8 | A, C | ZINC ION | non-polymer | 65.4 | 2 | Chemie (ZN) | |||
9 | A, C | SULFATE ION | non-polymer | 96.1 | 2 | Chemie (SO4) | |||
10 | 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 |