9SS9

Human angiotensin 1-converting enzyme N-domain in complex with captopril

Entity

Entity ID	Chain ID	Description	Type	Chain length	Formula weight	Number of molecules	DB Name (Accession)	Biological source	Descriptive keywords
1	A, B (B, A)	Angiotensin-converting enzyme, soluble form	polymer	628	72493.4	2	UniProt (P12821) Pfam (PF01401)	Homo sapiens (human)
2	C, D (C, D)	2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose	branched		424.4	2	In PDB GlyTouCan (G42666HT)
3	E, Q (B, A)	ZINC ION	non-polymer		65.4	2	Chemie (ZN)
4	F, H, V, W (B, A)	DI(HYDROXYETHYL)ETHER	non-polymer		106.1	4	Chemie (PEG)
5	G, J, X (B, A)	1,2-ETHANEDIOL	non-polymer		62.1	3	Chemie (EDO)
6	I, T (B, A)	TRIETHYLENE GLYCOL	non-polymer		150.2	2	Chemie (PGE)
7	K (B)	BICINE	non-polymer		163.2	1	Chemie (BCN)
8	L (B)	L-CAPTOPRIL	non-polymer		217.3	1	Chemie (X8Z)
9	M, O, P, Y (B, A)	2-acetamido-2-deoxy-beta-D-glucopyranose	non-polymer		221.2	4	Chemie (NAG)
10	N, Z (B, A)	CHLORIDE ION	non-polymer		35.5	2	Chemie (CL)
11	R (A)	1-(3-MERCAPTO-2-METHYL-PROPIONYL)-PYRROLIDINE-2-CARBOXYLIC ACID	non-polymer		217.3	1	Chemie (MCO)
12	S, U (A)	TETRAETHYLENE GLYCOL	non-polymer		194.2	2	Chemie (PG4)
13	AA, BA (B, A)	water	water		18.0	69	Chemie (HOH)

Sequence modifications

B, A: 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

Contents of the asymmetric unit

Polymers	Number of chains	2
	Total formula weight	144986.7
Branched	Number of molecules	2
	Total formula weight	848.8
Non-Polymers*	Number of molecules	22
	Total formula weight	2983.8
All*	Total formula weight	148819.3

*Water molecules are not included.