3BKK
Tesis ACE co-crystal structure with ketone ACE inhibitor kAF
Entity
| Entity ID | Chain ID | Description | Type | Chain length | Formula weight | Number of molecules | DB Name (Accession) | Biological source | Descriptive keywords |
| 1 | A (A) | Angiotensin-converting enzyme, somatic isoform | polymer | 591 | 68281.2 | 1 | UniProt (P12821) Pfam (PF01401) | Homo sapiens (human) | DIPEPTIDYL CARBOXYPEPTIDASE I,KININASE II,CD143 ANTIGEN |
| 2 | B (B) | 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) | |||
| 3 | C, D (A) | 2-acetamido-2-deoxy-beta-D-glucopyranose | non-polymer | 221.2 | 2 | Chemie (NAG) | |||
| 4 | E (A) | ZINC ION | non-polymer | 65.4 | 1 | Chemie (ZN) | |||
| 5 | F, G (A) | CHLORIDE ION | non-polymer | 35.5 | 2 | Chemie (CL) | |||
| 6 | H (A) | N-{(5S)-4,4-dihydroxy-6-phenyl-5-[(phenylcarbonyl)amino]hexanoyl}-L-phenylalanine | non-polymer | 490.5 | 1 | Chemie (KAF) | |||
| 7 | I (A) | water | water | 18.0 | 229 | Chemie (HOH) |
Sequence modifications
A: 37 - 627 (UniProt: P12821)
| PDB | External Database | Details |
|---|---|---|
| Gly 64 | Glu 669 | engineered mutation |
| Gln 90 | Asn 695 | engineered mutation |
| Gln 155 | Asn 760 | engineered mutation |
| Gln 337 | Asn 942 | engineered mutation |
| Gln 586 | Asn 1191 | engineered mutation |
Sequence viewer
Contents of the asymmetric unit
| Polymers | Number of chains | 1 |
| Total formula weight | 68281.2 | |
| Branched | Number of molecules | 1 |
| Total formula weight | 570.5 | |
| Non-Polymers* | Number of molecules | 6 |
| Total formula weight | 1069.3 | |
| All* | Total formula weight | 69921.1 |
