9H1B
Crystal structure of Angiotensin-1 converting enzyme N-domain in complex with dual ACE/NEP inhibitor AD015
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, B (A, B) | Angiotensin-converting enzyme, soluble form | polymer | 628 | 72493.4 | 2 | UniProt (P12821) Pfam (PF01401) | Homo sapiens (human) | |
| 2 | C, F (C, F) | 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) | |||
| 3 | D, G (D, G) | alpha-L-fucopyranose-(1-6)-2-acetamido-2-deoxy-beta-D-glucopyranose | branched | 367.3 | 2 | In PDB GlyTouCan (G86851RC) | |||
| 4 | E (E) | 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose | branched | 424.4 | 1 | In PDB GlyTouCan (G42666HT) | |||
| 5 | H (A) | 2-acetamido-2-deoxy-beta-D-glucopyranose | non-polymer | 221.2 | 1 | Chemie (NAG) | |||
| 6 | I (A) | TETRAETHYLENE GLYCOL | non-polymer | 194.2 | 1 | Chemie (PG4) | |||
| 7 | DA, J, Y (B, A) | ACETIC ACID | non-polymer | 60.1 | 3 | Chemie (ACY) | |||
| 8 | AA, BA, CA, K, M... (B, A) | 1,2-ETHANEDIOL | non-polymer | 62.1 | 8 | Chemie (EDO) | |||
| 9 | L (A) | TRIETHYLENE GLYCOL | non-polymer | 150.2 | 1 | Chemie (PGE) | |||
| 10 | FA, P (B, A) | ZINC ION | non-polymer | 65.4 | 2 | Chemie (ZN) | |||
| 11 | GA, Q (B, A) | CHLORIDE ION | non-polymer | 35.5 | 2 | Chemie (CL) | |||
| 12 | HA, R (B, A) | (2~{S},5~{R})-5-(4-methylphenyl)-1-[2-[[(2~{S})-3-phenyl-2-sulfanyl-propanoyl]amino]ethanoyl]pyrrolidine-2-carboxylic acid | non-polymer | 426.5 | 2 | Chemie (A1IRR) | |||
| 13 | IA, JA, S (B, A) | MAGNESIUM ION | non-polymer | 24.3 | 3 | Chemie (MG) | |||
| 14 | EA, T, V, W, X (B) | DI(HYDROXYETHYL)ETHER | non-polymer | 106.1 | 5 | Chemie (PEG) | |||
| 15 | U (B) | 3,6,9,12,15,18,21-HEPTAOXATRICOSANE-1,23-DIOL | non-polymer | 370.4 | 1 | Chemie (PE8) | |||
| 16 | KA, LA (A, B) | water | water | 18.0 | 806 | Chemie (HOH) |
Sequence modifications
A, B: 1 - 628 (UniProt: P12821)
| PDB | External Database | Details |
|---|---|---|
| Gln 9 | Asn 38 | engineered mutation |
| Gln 25 | Asn 54 | engineered mutation |
| Gln 82 | Asn 111 | engineered mutation |
| Gln 117 | Asn 146 | engineered mutation |
| Gln 131 | Asn 160 | engineered mutation |
| Gln 289 | Asn 318 | engineered mutation |
| Arg 545 | Gln 574 | engineered mutation |
| Leu 576 | Pro 605 | engineered mutation |
Sequence viewer
Contents of the asymmetric unit
| Polymers | Number of chains | 2 |
| Total formula weight | 144986.7 | |
| Branched | Number of molecules | 5 |
| Total formula weight | 2624.5 | |
| Non-Polymers* | Number of molecules | 29 |
| Total formula weight | 3271.0 | |
| All* | Total formula weight | 150882.2 |
