1CLE

STRUCTURE OF UNCOMPLEXED AND LINOLEATE-BOUND CANDIDA CYLINDRACEA CHOLESTEROL ESTERASE

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)	CHOLESTEROL ESTERASE	polymer	534	57329.5	2	UniProt (P32947)	Candida cylindracea
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, H (A, B)	2-acetamido-2-deoxy-beta-D-glucopyranose	non-polymer		221.2	2	Chemie (NAG)
4	F, I (A, B)	PHOSPHATE ION	non-polymer		95.0	2	Chemie (PO4) PubChem (1061)
5	G, J (A, B)	CHOLESTERYL LINOLEATE	non-polymer		649.1	2	Chemie (CLL) PubChem (22833537) PubChem (25009558) PubChem (25255833) PubChem (92819) PubChem (46936301) PubChem (54100201) PubChem (54100202) PubChem (54609098) PubChem (57314933) PubChem (59571896) PubChem (66604591) PubChem (227041) PubChem (5287939) PubChem (90901519) PubChem (99565635) PubChem (6379755) PubChem (124511024) PubChem (124518081) PubChem (125027415) PubChem (94842328) PubChem (10168425) PubChem (131801653) PubChem (97038449) PubChem (6538325) PubChem (99565636) PubChem (99565892) PubChem (99565893) PubChem (102565451) PubChem (138113422) PubChem (124518082) PubChem (11520237) PubChem (15565238) PubChem (124914430) PubChem (124914431) PubChem (124914432) PubChem (124914433) PubChem (125127426) PubChem (131632555) PubChem (132007999) PubChem (132342678) PubChem (172012313) PubChem (172946195)
6	K, L (A, B)	water	water		18.0	478	Chemie (HOH)

Sequence modifications

A, B: 1 - 534 (UniProt: P32947)

PDB	External Database	Details
Val 344	Ile 359	conflict

Contents of the asymmetric unit

Polymers	Number of chains	2
	Total formula weight	114658.9
Branched	Number of molecules	2
	Total formula weight	848.8
Non-Polymers*	Number of molecules	6
	Total formula weight	1930.5
All*	Total formula weight	117438.3

*Water molecules are not included.