6EN5
Crystal structure A 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 (A, B, C, D) | Angiotensin-converting enzyme | polymer | 629 | 72606.5 | 4 | UniProt (P12821) Pfam (PF01401) | Homo sapiens (Human) | ACE,Dipeptidyl carboxypeptidase I,Kininase II |
| 2 | E, H, K (E, H, K) | 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 (F, I) | 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 | G, J, M, P (G, J, M, P) | 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-[alpha-L-fucopyranose-(1-6)]2-acetamido-2-deoxy-beta-D-glucopyranose | branched | 570.5 | 4 | In PDB GlyTouCan (G21290RB) | |||
| 5 | L, N (L, N) | beta-D-mannopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose | branched | 586.5 | 2 | In PDB GlyTouCan (G15407YE) | |||
| 6 | O (O) | alpha-D-mannopyranose-(1-3)-[alpha-D-mannopyranose-(1-6)]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 | 1057.0 | 1 | In PDB GlyTouCan (G82348BZ) | |||
| 7 | HA, OB, Q, YA (B, D, A, C) | ZINC ION | non-polymer | 65.4 | 4 | Chemie (ZN) | |||
| 8 | IA, PB, R, ZA (B, D, A, C) | (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 | AB, JA, QB, S (C, B, D, A) | CHLORIDE ION | non-polymer | 35.5 | 4 | Chemie (CL) | |||
| 10 | BB, KA, RB, T (C, B, D, A) | MAGNESIUM ION | non-polymer | 24.3 | 4 | Chemie (MG) | |||
| 11 | CB, DB, LA, MA, NA... (C, B, D, A) | DI(HYDROXYETHYL)ETHER | non-polymer | 106.1 | 12 | Chemie (PEG) | |||
| 12 | AA, BA, CA, DA, EB... (A, C, B, D) | 1,2-ETHANEDIOL | non-polymer | 62.1 | 23 | Chemie (EDO) | |||
| 13 | EA, FA, MB, VA, XB... (A, C, B, D) | ACETATE ION | non-polymer | 59.0 | 6 | Chemie (ACT) | |||
| 14 | GA (A) | 3,6,9,12,15,18,21,24,27,30,33,36,39-TRIDECAOXAHENTETRACONTANE-1,41-DIOL | non-polymer | 634.8 | 1 | Chemie (PE3) | |||
| 15 | WA (B) | TRIETHYLENE GLYCOL | non-polymer | 150.2 | 1 | Chemie (PGE) | |||
| 16 | NB, XA (C, B) | TETRAETHYLENE GLYCOL | non-polymer | 194.2 | 2 | Chemie (PG4) | |||
| 17 | ZB (D) | 3,6,9,12,15,18,21,24,27-NONAOXANONACOSANE-1,29-DIOL | non-polymer | 458.5 | 1 | Chemie (XPE) | |||
| 18 | AC, BC, CC, DC (A, B, C, D) | water | water | 18.0 | 2393 | 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 | 12 |
| Total formula weight | 7250.8 | |
| Non-Polymers* | Number of molecules | 62 |
| Total formula weight | 6901.6 | |
| All* | Total formula weight | 304578.4 |
