7Q29
Crystal structure of Angiotensin-1 converting enzyme C-domain in complex with dual ACE/NEP inhibitor AD013
Entity
| Entity ID | Chain ID | Description | Type | Chain length | Formula weight | Number of molecules | DB Name (Accession) | Biological source | Descriptive keywords |
| 1 | A | Angiotensin-converting enzyme | polymer | 597 | 68861.9 | 1 | UniProt (P12821) Pfam (PF01401) In PDB | Homo sapiens (Human) | ACE,Dipeptidyl carboxypeptidase I,Kininase II |
| 2 | B | alpha-D-mannopyranose-(1-3)-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 | 894.8 | 1 | In PDB GlyTouCan (G42466VF) | |||
| 3 | A | 2-acetamido-2-deoxy-beta-D-glucopyranose | non-polymer | 221.2 | 1 | Chemie (NAG) | |||
| 4 | A | BORIC ACID | non-polymer | 61.8 | 5 | Chemie (BO3) | |||
| 5 | A | IMIDAZOLE | non-polymer | 69.1 | 1 | Chemie (IMD) | |||
| 6 | A | (2~{S},5~{R})-5-(4-methylphenyl)-1-[2-[[(2~{S})-1-oxidanyl-1-oxidanylidene-4-phenyl-butan-2-yl]amino]ethanoyl]pyrrolidine-2-carboxylic acid | non-polymer | 424.5 | 1 | Chemie (8JV) | |||
| 7 | A | DI(HYDROXYETHYL)ETHER | non-polymer | 106.1 | 1 | Chemie (PEG) | |||
| 8 | A | PENTAETHYLENE GLYCOL | non-polymer | 238.3 | 1 | Chemie (1PE) | |||
| 9 | A | 1,2-ETHANEDIOL | non-polymer | 62.1 | 2 | Chemie (EDO) | |||
| 10 | A | ZINC ION | non-polymer | 65.4 | 1 | Chemie (ZN) | |||
| 11 | A | CHLORIDE ION | non-polymer | 35.5 | 2 | Chemie (CL) | |||
| 12 | water | water | 18.0 | 553 | Chemie (HOH) |
Sequence modifications
A: 37 - 633 (UniProt: P12821)
| PDB | External Database | Details |
|---|---|---|
| Gly 64 | Glu 669 | engineered mutation |
| Gln 90 | Asn 695 | engineered mutation |
| Gln 155 | Asn 760 | engineered mutation |
| Gln 337 | Asn 942 | engineered mutation |
| Gln 586 | Asn 1191 | engineered mutation |
Sequence viewer
Contents of the asymmetric unit
| Polymers | Number of chains | 1 |
| Total formula weight | 68861.9 | |
| Branched | Number of molecules | 1 |
| Total formula weight | 894.8 | |
| Non-Polymers* | Number of molecules | 15 |
| Total formula weight | 1628.8 | |
| All* | Total formula weight | 71385.5 |
