6H5X
Crystal structure of human Angiotensin-1 converting enzyme N-domain in complex with Omapatrilat.
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 | polymer | 629 | 72592.5 | 2 | UniProt (P12821) Pfam (PF01401) | Homo sapiens (Human) | ACE,Dipeptidyl carboxypeptidase I,Kininase II |
| 2 | C, F (C, F) | 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose | branched | 424.4 | 2 | In PDB GlyTouCan (G42666HT) | |||
| 3 | D, H (D, H) | 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-[alpha-L-fucopyranose-(1-6)]2-acetamido-2-deoxy-beta-D-glucopyranose | branched | 570.5 | 2 | In PDB GlyTouCan (G21290RB) | |||
| 4 | E (E) | alpha-L-fucopyranose-(1-6)-2-acetamido-2-deoxy-beta-D-glucopyranose | branched | 367.3 | 1 | In PDB GlyTouCan (G86851RC) | |||
| 5 | G (G) | beta-D-mannopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-[alpha-L-fucopyranose-(1-6)]2-acetamido-2-deoxy-beta-D-glucopyranose | branched | 732.7 | 1 | In PDB GlyTouCan (G32152BH) | |||
| 6 | I, U (A, B) | ZINC ION | non-polymer | 65.4 | 2 | Chemie (ZN) | |||
| 7 | J, V (A, B) | Omapatrilat | non-polymer | 408.5 | 2 | Chemie (FT8) PubChem (21865524) PubChem (126046) PubChem (56991866) PubChem (57249381) PubChem (59038623) PubChem (59873026) PubChem (59959379) PubChem (59974765) PubChem (59995731) PubChem (54055101) PubChem (656629) PubChem (87061394) PubChem (91101760) PubChem (9801585) PubChem (11069567) PubChem (156450061) | |||
| 8 | K, W (A, B) | CHLORIDE ION | non-polymer | 35.5 | 2 | Chemie (CL) PubChem (312) | |||
| 9 | L (A) | 3,6,9,12,15,18,21,24,27-NONAOXANONACOSANE-1,29-DIOL | non-polymer | 458.5 | 1 | Chemie (XPE) PubChem (79689) | |||
| 10 | M (A) | TETRAETHYLENE GLYCOL | non-polymer | 194.2 | 1 | Chemie (PG4) PubChem (8200) | |||
| 11 | AA, BA, CA, N, O... (B, A) | 1,2-ETHANEDIOL | non-polymer | 62.1 | 12 | Chemie (EDO) | |||
| 12 | X (B) | MAGNESIUM ION | non-polymer | 24.3 | 1 | Chemie (MG) PubChem (888) | |||
| 13 | DA (B) | TRIETHYLENE GLYCOL | non-polymer | 150.2 | 1 | Chemie (PGE) | |||
| 14 | EA, FA (A, B) | water | water | 18.0 | 748 | Chemie (HOH) |
Sequence modifications
A, B: 1 - 628 (UniProt: P12821)
| PDB | External Database | Details |
|---|---|---|
| Gln 9 | Asn 38 | conflict |
| Gln 25 | Asn 54 | conflict |
| Gln 82 | Asn 111 | conflict |
| Gln 117 | Asn 146 | conflict |
| Gln 289 | Asn 318 | conflict |
| Arg 545 | Gln 574 | conflict |
| Leu 576 | Pro 605 | conflict |
| Leu 629 | - | expression tag |
Sequence viewer
Contents of the asymmetric unit
| Polymers | Number of chains | 2 |
| Total formula weight | 145185.0 | |
| Branched | Number of molecules | 6 |
| Total formula weight | 3089.9 | |
| Non-Polymers* | Number of molecules | 22 |
| Total formula weight | 2590.9 | |
| All* | Total formula weight | 150865.7 |
