7Q28
Crystal structure of Angiotensin-1 converting enzyme C-domain in complex with dual ACE/NEP inhibitor AD012
Entity
Entity ID | Chain ID | Description | Type | Chain length | Formula weight | Number of molecules | DB Name (Accession) | Biological source | Descriptive keywords |
1 | A | Angiotensin-converting enzyme | polymer | 597 | 68861.9 | 1 | UniProt (P12821) Pfam (PF01401) In PDB | Homo sapiens (Human) | ACE,Dipeptidyl carboxypeptidase I,Kininase II |
2 | B | 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) | |||
3 | A | 2-acetamido-2-deoxy-beta-D-glucopyranose | non-polymer | 221.2 | 1 | Chemie (NAG) | |||
4 | A | BORIC ACID | non-polymer | 61.8 | 3 | Chemie (BO3) | |||
5 | A | (2~{S})-2-[[(2~{S})-1-[[(2~{S})-3-(4-hydroxyphenyl)-1-oxidanyl-1-oxidanylidene-propan-2-yl]amino]-1-oxidanylidene-hexan-2-yl]amino]-4-phenyl-butanoic acid | non-polymer | 456.5 | 1 | Chemie (8J9) | |||
6 | A | DI(HYDROXYETHYL)ETHER | non-polymer | 106.1 | 1 | Chemie (PEG) | |||
7 | A | 1,2-ETHANEDIOL | non-polymer | 62.1 | 2 | Chemie (EDO) | |||
8 | A | ZINC ION | non-polymer | 65.4 | 1 | Chemie (ZN) | |||
9 | A | CHLORIDE ION | non-polymer | 35.5 | 2 | Chemie (CL) | |||
10 | water | water | 18.0 | 434 | Chemie (HOH) |
Sequence modifications
A: 37 - 633 (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 | 68861.9 | |
Branched | Number of molecules | 1 |
Total formula weight | 894.8 | |
Non-Polymers* | Number of molecules | 11 |
Total formula weight | 1229.8 | |
All* | Total formula weight | 70986.5 |