8R41

Structure of CHI3L1 in complex with inhibitor 1

Entity

Entity ID	Chain ID	Description	Type	Chain length	Formula weight	Number of molecules	DB Name (Accession)	Biological source	Descriptive keywords
1	A, B	Chitinase-3-like protein 1	polymer	383	42674.4	2	UniProt (P36222) Pfam (PF00704) In PDB	Homo sapiens (human)
2	X, Y	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	A, B	~{N}-[2-(4-bromophenyl)ethyl]-~{N}-(2-methoxyethyl)-1-(1,3-thiazol-2-yl)piperidin-4-amine	non-polymer		424.4	2	Chemie (XUF)
4	A, B	1,2-ETHANEDIOL	non-polymer		62.1	9	Chemie (EDO)
5	A	BROMIDE ION	non-polymer		79.9	2	Chemie (BR)
6		water	water		18.0	164	Chemie (HOH)

Contents of the asymmetric unit

Polymers	Number of chains	2
	Total formula weight	85348.7
Branched	Number of molecules	2
	Total formula weight	848.8
Non-Polymers*	Number of molecules	13
	Total formula weight	1567.2
All*	Total formula weight	87764.7

*Water molecules are not included.