6F9R
Crystal structure of human Angiotensin-1 converting enzyme N-domain in complex with Sampatrilat-Asp.
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 (C) | alpha-L-fucopyranose-(1-6)-2-acetamido-2-deoxy-beta-D-glucopyranose | branched | 367.3 | 1 | In PDB GlyTouCan (G86851RC) | |||
| 3 | D, G (D, 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 | 2 | In PDB GlyTouCan (G32152BH) | |||
| 4 | E, F (E, 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) | |||
| 5 | H (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 | 1 | In PDB GlyTouCan (G21290RB) | |||
| 6 | I, R (A, B) | ZINC ION | non-polymer | 65.4 | 2 | Chemie (ZN) | |||
| 7 | J, S (A, B) | Sampatrilat-Asp | non-polymer | 535.5 | 2 | Chemie (D0W) | |||
| 8 | K, T (A, B) | CHLORIDE ION | non-polymer | 35.5 | 2 | Chemie (CL) | |||
| 9 | L, U, V (A, B) | DI(HYDROXYETHYL)ETHER | non-polymer | 106.1 | 3 | Chemie (PEG) | |||
| 10 | M (A) | TETRAETHYLENE GLYCOL | non-polymer | 194.2 | 1 | Chemie (PG4) | |||
| 11 | N, W, X (A, B) | MAGNESIUM ION | non-polymer | 24.3 | 3 | Chemie (MG) | |||
| 12 | AA, BA, O, Y, Z (B, A) | 1,2-ETHANEDIOL | non-polymer | 62.1 | 5 | Chemie (EDO) | |||
| 13 | P, Q (A) | ACETATE ION | non-polymer | 59.0 | 2 | Chemie (ACT) | |||
| 14 | CA (B) | 3,6,9,12,15,18,21-HEPTAOXATRICOSANE-1,23-DIOL | non-polymer | 370.4 | 1 | Chemie (PE8) | |||
| 15 | DA, EA (A, B) | water | water | 18.0 | 739 | 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 | 3252.1 | |
| Non-Polymers* | Number of molecules | 21 |
| Total formula weight | 2657.2 | |
| All* | Total formula weight | 151094.2 |
