6TT4
Crystal structure of 'Res_S2 mutant human Angiotensin-1 converting enzyme N-domain in complex with omapatrilat.
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 | polymer | 629 | 72544.5 | 2 | UniProt (P12821) Pfam (PF01401) | Homo sapiens (Human) | ACE,Dipeptidyl carboxypeptidase I,Kininase II |
| 2 | C (C) | 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) | |||
| 3 | D (D) | 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-[alpha-L-fucopyranose-(1-6)]2-acetamido-2-deoxy-beta-D-glucopyranose | branched | 570.5 | 1 | In PDB GlyTouCan (G21290RB) | |||
| 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 | F (F) | 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) | |||
| 6 | G (G) | alpha-L-fucopyranose-(1-6)-2-acetamido-2-deoxy-beta-D-glucopyranose | branched | 367.3 | 1 | In PDB GlyTouCan (G86851RC) | |||
| 7 | H (A) | 2-acetamido-2-deoxy-beta-D-glucopyranose | non-polymer | 221.2 | 1 | Chemie (NAG) | |||
| 8 | I, T (A, B) | ZINC ION | non-polymer | 65.4 | 2 | Chemie (ZN) | |||
| 9 | J, U (A, B) | Omapatrilat | non-polymer | 408.5 | 2 | Chemie (FT8) | |||
| 10 | K, V (A, B) | CHLORIDE ION | non-polymer | 35.5 | 2 | Chemie (CL) | |||
| 11 | L (A) | 3,6,9,12,15,18,21,24,27-NONAOXANONACOSANE-1,29-DIOL | non-polymer | 458.5 | 1 | Chemie (XPE) | |||
| 12 | M, W (A, B) | TRIETHYLENE GLYCOL | non-polymer | 150.2 | 2 | Chemie (PGE) | |||
| 13 | AA, N, O, X, Y... (B, A) | 1,2-ETHANEDIOL | non-polymer | 62.1 | 6 | Chemie (EDO) | |||
| 14 | P (A) | DI(HYDROXYETHYL)ETHER | non-polymer | 106.1 | 1 | Chemie (PEG) | |||
| 15 | BA, Q (B, A) | BICINE | non-polymer | 163.2 | 2 | Chemie (BCN) | |||
| 16 | CA, DA, R, S (B, A) | BORIC ACID | non-polymer | 61.8 | 4 | Chemie (BO3) | |||
| 17 | EA, FA (A, B) | water | water | 18.0 | 983 | Chemie (HOH) |
Sequence modifications
A, B: 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 |
| Thr 260 | Ser 289 | conflict |
| Ser 262 | Glu 291 | conflict |
| Gln 289 | Asn 318 | conflict |
| Glu 354 | Asp 383 | conflict |
| Val 357 | Ser 386 | conflict |
| Val 358 | Thr 387 | conflict |
| Phe 369 | Tyr 398 | conflict |
| Glu 381 | Arg 410 | conflict |
| Asp 431 | Glu 460 | 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 | 2 |
| Total formula weight | 145089.0 | |
| Branched | Number of molecules | 5 |
| Total formula weight | 2843.7 | |
| Non-Polymers* | Number of molecules | 23 |
| Total formula weight | 3051.1 | |
| All* | Total formula weight | 150983.7 |
