9SSB
Human angiotensin 1-converting enzyme N-domain in complex with zofenoprilat
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, soluble form | polymer | 628 | 72493.4 | 4 | UniProt (P12821) Pfam (PF01401) | Homo sapiens (human) | |
| 2 | E, F, G (E, K, M) | alpha-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 (G47477HI) | |||
| 3 | H, N, O (N, H, Q) | alpha-L-fucopyranose-(1-6)-2-acetamido-2-deoxy-beta-D-glucopyranose | branched | 367.3 | 3 | In PDB GlyTouCan (G86851RC) | |||
| 4 | I (O) | 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) | |||
| 5 | J (P) | alpha-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 (G62182OO) | |||
| 6 | K, L, M (F, G, R) | 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose | branched | 424.4 | 3 | In PDB GlyTouCan (G42666HT) | |||
| 7 | FA, HB, P, RA (B, D, A, C) | ZINC ION | non-polymer | 65.4 | 4 | Chemie (ZN) | |||
| 8 | GA, IB, Q, SA (B, D, A, C) | L-PROLINE, 1-[(2S)-3-MERCAPTO-2-METHYL-1-OXOPROPYL]-4-(PHENYLTHIO)-, 4S | non-polymer | 325.4 | 4 | Chemie (ZED) | |||
| 9 | IA, KA, MB, R, T... (B, D, A, C) | DI(HYDROXYETHYL)ETHER | non-polymer | 106.1 | 9 | Chemie (PEG) | |||
| 10 | AB, BB, CB, DB, JA... (C, B, D, A) | 1,2-ETHANEDIOL | non-polymer | 62.1 | 17 | Chemie (EDO) | |||
| 11 | U (A) | ACETATE ION | non-polymer | 59.0 | 1 | Chemie (ACT) | |||
| 12 | AA, EB, PB (A, C, D) | TRIETHYLENE GLYCOL | non-polymer | 150.2 | 3 | Chemie (PGE) | |||
| 13 | BA, FB, NB, PA (A, C, D, B) | CALCIUM ION | non-polymer | 40.1 | 4 | Chemie (CA) | |||
| 14 | CA (A) | 2-acetamido-2-deoxy-beta-D-glucopyranose | non-polymer | 221.2 | 1 | Chemie (NAG) | |||
| 15 | DA, GB, OB, QA (A, C, D, B) | CHLORIDE ION | non-polymer | 35.5 | 4 | Chemie (CL) | |||
| 16 | EA (A) | DODECAETHYLENE GLYCOL | non-polymer | 546.6 | 1 | Chemie (12P) | |||
| 17 | HA (B) | 3,6,9,12,15,18,21-HEPTAOXATRICOSANE-1,23-DIOL | non-polymer | 370.4 | 1 | Chemie (PE8) | |||
| 18 | OA, VA (B, C) | 2-AMINO-2-HYDROXYMETHYL-PROPANE-1,3-DIOL | non-polymer | 122.1 | 2 | Chemie (TRS) | |||
| 19 | TA (C) | 3,6,9,12,15,18,21,24,27-NONAOXANONACOSANE-1,29-DIOL | non-polymer | 458.5 | 1 | Chemie (XPE) | |||
| 20 | KB (D) | TETRAETHYLENE GLYCOL | non-polymer | 194.2 | 1 | Chemie (PG4) | |||
| 21 | QB, RB, SB, TB (A, B, C, D) | water | water | 18.0 | 943 | 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 |
Sequence viewer
Contents of the asymmetric unit
| Polymers | Number of chains | 4 |
| Total formula weight | 289973.4 | |
| Branched | Number of molecules | 11 |
| Total formula weight | 5730.4 | |
| Non-Polymers* | Number of molecules | 53 |
| Total formula weight | 6420.7 | |
| All* | Total formula weight | 302124.5 |
