6EN6
Crystal structure B of the Angiotensin-1 converting enzyme N-domain in complex with a diprolyl inhibitor.
Entity
| Entity ID | Chain ID | Description | Type | Chain length | Formula weight | Number of molecules | DB Name (Accession) | Biological source | Descriptive keywords |
| 1 | A, B, C, D | Angiotensin-converting enzyme | polymer | 629 | 72606.5 | 4 | UniProt (P12821) Pfam (PF01401) In PDB | Homo sapiens (Human) | ACE,Dipeptidyl carboxypeptidase I,Kininase II |
| 2 | E, H, M | 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose | branched | 424.4 | 3 | In PDB GlyTouCan (G42666HT) | |||
| 3 | F, I, N | 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 | 3 | In PDB GlyTouCan (G32152BH) | |||
| 4 | G, L | 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) | |||
| 5 | J, O | alpha-L-fucopyranose-(1-6)-2-acetamido-2-deoxy-beta-D-glucopyranose | branched | 367.3 | 2 | In PDB GlyTouCan (G86851RC) | |||
| 6 | K | beta-D-mannopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose | branched | 586.5 | 1 | In PDB GlyTouCan (G15407YE) | |||
| 7 | B, D, A, C | ZINC ION | non-polymer | 65.4 | 4 | Chemie (ZN) | |||
| 8 | C, B, D, A | (2~{S})-1-[(2~{S})-2-[[(1~{S})-1-[(2~{S})-1-[(2~{S})-2-azanyl-4-oxidanyl-4-oxidanylidene-butanoyl]pyrrolidin-2-yl]-2-oxidanyl-2-oxidanylidene-ethyl]amino]propanoyl]pyrrolidine-2-carboxylic acid | non-polymer | 428.4 | 4 | Chemie (BJ2) | |||
| 9 | C, B, D, A | CHLORIDE ION | non-polymer | 35.5 | 4 | Chemie (CL) | |||
| 10 | C, B, D, A | MAGNESIUM ION | non-polymer | 24.3 | 4 | Chemie (MG) | |||
| 11 | C, B, D, A | DI(HYDROXYETHYL)ETHER | non-polymer | 106.1 | 10 | Chemie (PEG) | |||
| 12 | D, C, B, A | 1,2-ETHANEDIOL | non-polymer | 62.1 | 23 | Chemie (EDO) | |||
| 13 | D, C, B, A | ACETATE ION | non-polymer | 59.0 | 13 | Chemie (ACT) | |||
| 14 | D, B, A | TRIETHYLENE GLYCOL | non-polymer | 150.2 | 6 | Chemie (PGE) | |||
| 15 | A | BICINE | non-polymer | 163.2 | 1 | Chemie (BCN) | |||
| 16 | B | NONAETHYLENE GLYCOL | non-polymer | 414.5 | 1 | Chemie (2PE) | |||
| 17 | C, B | 3,6,9,12,15,18,21,24,27-NONAOXANONACOSANE-1,29-DIOL | non-polymer | 458.5 | 2 | Chemie (XPE) | |||
| 18 | C | 2-acetamido-2-deoxy-beta-D-glucopyranose | non-polymer | 221.2 | 1 | Chemie (NAG) | |||
| 19 | water | water | 18.0 | 2361 | Chemie (HOH) |
Sequence modifications
A, B, C, D: 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 131 | Asn 160 | 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 | 4 |
| Total formula weight | 290426.0 | |
| Branched | Number of molecules | 11 |
| Total formula weight | 5933.6 | |
| Non-Polymers* | Number of molecules | 73 |
| Total formula weight | 8087.7 | |
| All* | Total formula weight | 304447.3 |
