9H1E
Crystal structure of Angiotensin-1 converting enzyme C-domain in complex with dual ACE/NEP inhibitor AD016
This is a non-PDB format compatible entry.
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 | polymer | 597 | 68861.9 | 1 | UniProt (P12821) Pfam (PF01401) | Homo sapiens (human) | ACE,Dipeptidyl carboxypeptidase I,Kininase II |
| 2 | B (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 | C (A) | 2-acetamido-2-deoxy-beta-D-glucopyranose | non-polymer | 221.2 | 1 | Chemie (NAG) | |||
| 4 | D (A) | BORIC ACID | non-polymer | 61.8 | 1 | Chemie (BO3) | |||
| 5 | E, F (A) | MALONIC ACID | non-polymer | 104.1 | 2 | Chemie (MLA) | |||
| 6 | G (A) | ZINC ION | non-polymer | 65.4 | 1 | Chemie (ZN) | |||
| 7 | H, I (A) | CHLORIDE ION | non-polymer | 35.5 | 2 | Chemie (CL) | |||
| 8 | J (A) | (2~{S})-2-[[(2~{S})-6-azanyl-2-[[(2~{S})-3-phenyl-2-sulfanyl-propanoyl]amino]hexanoyl]amino]-3-(1~{H}-indol-3-yl)propanoic acid | non-polymer | 496.6 | 1 | Chemie (A1IRS) | |||
| 9 | K (A) | water | water | 18.0 | 676 | 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 | 8 |
| Total formula weight | 1124.1 | |
| All* | Total formula weight | 70880.8 |
