10KA

Co-crystal Structure of CHI3L1 bound to DELC2 small molecule ligand

This is a non-PDB format compatible entry.

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)	Chitinase-3-like protein 1	polymer	401	44839.7	2	UniProt (P36222)	Homo sapiens (human)	39 kDa synovial protein,Cartilage glycoprotein 39,CGP-39,GP-39,hCGP-39,YKL-40
2	C, D (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	E, F (A, B)	(3aR,6aR)-2-(3-cyclopropyl-N-{[4-(pyridin-2-yl)phenyl]methyl}-D-alanyl)-N-[(2R)-1-(methylamino)-1-oxopentan-2-yl]hexahydrocyclopenta[c]pyrrole-3a(1H)-carboxamide	non-polymer		545.7	2	Chemie (A1C9L)
4	G, H (A, B)	water	water		18.0	65	Chemie (HOH)

Sequence modifications

A, B: 1 - 383 (UniProt: P36222)

PDB	External Database	Details
Gly 145	Arg 145	variant
Leu 384	-	expression tag
Glu 385	-	expression tag
Val 386	-	expression tag
Leu 387	-	expression tag
Phe 388	-	expression tag
Gln 389	-	expression tag
Gly 390	-	expression tag
Pro 391	-	expression tag
His 392	-	expression tag
His 393	-	expression tag
His 394	-	expression tag
His 395	-	expression tag
His 396	-	expression tag
His 397	-	expression tag
His 398	-	expression tag
His 399	-	expression tag
His 400	-	expression tag
His 401	-	expression tag

Contents of the asymmetric unit

Polymers	Number of chains	2
	Total formula weight	89679.4
Branched	Number of molecules	2
	Total formula weight	848.8
Non-Polymers*	Number of molecules	2
	Total formula weight	1091.4
All*	Total formula weight	91619.6

*Water molecules are not included.