9RVA
Crystal structure of the extracellular part of human ACE2 in complex with the macrocyclic peptide WJL-63
Entity
| Entity ID | Chain ID | Description | Type | Chain length | Formula weight | Number of molecules | DB Name (Accession) | Biological source | Descriptive keywords |
| 1 | A (A) | Angiotensin-converting enzyme 2 | polymer | 730 | 84658.4 | 1 | UniProt (Q9BYF1) Pfam (PF01401) Pfam (PF16959) | Homo sapiens (human) | Angiotensin-converting enzyme homolog,ACEH,Angiotensin-converting enzyme-related carboxypeptidase,ACE-related carboxypeptidase,Metalloprotease MPROT15 |
| 2 | B (C) | macrocyclic peptide WJL-63 | polymer | 24 | 2469.7 | 1 | synthetic construct | ||
| 3 | C, D, E, F, G... (A) | 2-acetamido-2-deoxy-beta-D-glucopyranose | non-polymer | 221.2 | 6 | Chemie (NAG) PubChem (24139) | |||
| 4 | I (A) | ZINC ION | non-polymer | 65.4 | 1 | Chemie (ZN) PubChem (32051) | |||
| 5 | DA, J, K, L, M... (C, A) | 1,2-ETHANEDIOL | non-polymer | 62.1 | 12 | Chemie (EDO) | |||
| 6 | U, V (A) | ISOPROPYL ALCOHOL | non-polymer | 60.1 | 2 | Chemie (IPA) PubChem (3776) | |||
| 7 | W, X, Y (A) | CHLORIDE ION | non-polymer | 35.5 | 3 | Chemie (CL) PubChem (312) | |||
| 8 | Z (A) | SODIUM ION | non-polymer | 23.0 | 1 | Chemie (NA) PubChem (923) | |||
| 9 | AA, BA (A) | SULFATE ION | non-polymer | 96.1 | 2 | Chemie (SO4) | |||
| 10 | CA (A) | NONAETHYLENE GLYCOL | non-polymer | 414.5 | 1 | Chemie (2PE) PubChem (4867) | |||
| 11 | EA, FA (A, C) | water | water | 18.0 | 128 | Chemie (HOH) |
Sequence modifications
A: 19 - 740 (UniProt: Q9BYF1)
| PDB | External Database | Details |
|---|---|---|
| His 741 | - | expression tag |
| His 742 | - | expression tag |
| His 743 | - | expression tag |
| His 744 | - | expression tag |
| His 745 | - | expression tag |
| His 746 | - | expression tag |
| His 747 | - | expression tag |
| His 748 | - | expression tag |
Sequence viewer
Contents of the asymmetric unit
| Polymers | Number of chains | 2 |
| Total formula weight | 87128.1 | |
| Non-Polymers* | Number of molecules | 28 |
| Total formula weight | 2993.6 | |
| All* | Total formula weight | 90121.7 |
