6H5W

Crystal structure of human Angiotensin-1 converting enzyme C-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 (A)	Angiotensin-converting enzyme	polymer	591	68297.2	1	UniProt (P12821) Pfam (PF01401)	Homo sapiens (Human)	ACE,Dipeptidyl carboxypeptidase I,Kininase II
2	B (B)	2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose	branched		424.4	1	In PDB GlyTouCan (G42666HT)
3	C (C)	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)
4	D (A)	ZINC ION	non-polymer		65.4	1	Chemie (ZN)
5	E, F (A)	CHLORIDE ION	non-polymer		35.5	2	Chemie (CL)
6	G, H, I (A)	Omapatrilat	non-polymer		408.5	3	Chemie (FT8)
7	J (A)	IMIDAZOLE	non-polymer		69.1	1	Chemie (IMD)
8	K, L, M (A)	BORIC ACID	non-polymer		61.8	3	Chemie (BO3)
9	N (A)	HEXAETHYLENE GLYCOL	non-polymer		282.3	1	Chemie (P6G)
10	O, P, Q, R, S... (A)	1,2-ETHANEDIOL	non-polymer		62.1	6	Chemie (EDO)
11	U (A)	water	water		18.0	633	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

Contents of the asymmetric unit

Polymers	Number of chains	1
	Total formula weight	68297.2
Branched	Number of molecules	2
	Total formula weight	1157.1
Non-Polymers*	Number of molecules	17
	Total formula weight	2271.2
All*	Total formula weight	71725.6

*Water molecules are not included.