4BXK
Crystal structure of the Angiotensin-1 converting enzyme N-domain in complex with a domain-specific 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 (A, B) | ANGIOTENSIN-CONVERTING ENZYME | polymer | 629 | 72606.5 | 2 | UniProt (P12821) Pfam (PF01401) | HOMO SAPIENS (HUMAN) | ACE, DIPEPTIDYL CARBOXYPEPTIDASE I, KININASE II, CD143, ANGIOTENSIN-CONVERTING ENZYME, SOLUBLE FORM |
| 2 | C (C) | alpha-L-fucopyranose-(1-6)-2-acetamido-2-deoxy-beta-D-glucopyranose | branched | 367.3 | 1 | In PDB GlyTouCan (G86851RC) | |||
| 3 | D, F (D, F) | 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose | branched | 424.4 | 2 | In PDB GlyTouCan (G42666HT) | |||
| 4 | E (E) | 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 | 1 | In PDB GlyTouCan (G32152BH) | |||
| 5 | G (G) | 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) | |||
| 6 | H, I, J, O, R (A, B) | DI(HYDROXYETHYL)ETHER | non-polymer | 106.1 | 5 | Chemie (PEG) | |||
| 7 | K, Q (A, B) | HEXAETHYLENE GLYCOL | non-polymer | 282.3 | 2 | Chemie (P6G) | |||
| 8 | L, S (A, B) | [3-[[(2S)-1-azanyl-1-oxidanylidene-propan-2-yl]amino]-2-methyl-3-oxidanylidene-propyl]-[(1R)-1-[[(2R)-2-azanyl-3-(1H-1,2,3,4-tetrazol-5-yl)propanoyl]amino]-2-phenyl-ethyl]phosphinic acid | non-polymer | 480.5 | 2 | Chemie (1IU) | |||
| 9 | M, U (A, B) | ZINC ION | non-polymer | 65.4 | 2 | Chemie (ZN) | |||
| 10 | N, V (A, B) | CHLORIDE ION | non-polymer | 35.5 | 2 | Chemie (CL) | |||
| 11 | P (B) | TETRAETHYLENE GLYCOL | non-polymer | 194.2 | 1 | Chemie (PG4) | |||
| 12 | T (B) | 2-acetamido-2-deoxy-beta-D-glucopyranose | non-polymer | 221.2 | 1 | Chemie (NAG) | |||
| 13 | W, X (A, B) | water | water | 18.0 | 409 | Chemie (HOH) |
Sequence modifications
A, B: 1 - 628 (UniProt: P12821)
| PDB | External Database | Details |
|---|---|---|
| Leu 629 | - | expression tag |
| 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 | 145213.0 | |
| Branched | Number of molecules | 5 |
| Total formula weight | 2535.4 | |
| Non-Polymers* | Number of molecules | 15 |
| Total formula weight | 2673.3 | |
| All* | Total formula weight | 150421.7 |
