10JV

Crystal structure of human CHI3L1 in complex with the CHI-DEL small molecule

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, C, D (A, B, C, D)	Chitinase-3-like protein 1	polymer	401	44839.7	4	UniProt (P36222)	Homo sapiens (human)	39 kDa synovial protein,Cartilage glycoprotein 39,CGP-39,GP-39,hCGP-39,YKL-40
2	E, F, G, H (E, F, G, H)	2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose	branched		424.4	4	In PDB GlyTouCan (G42666HT)
3	I (A)	GLYCEROL	non-polymer		92.1	1	Chemie (GOL) PubChem (753)
4	J, K, L, M (A, B, C, D)	(4S)-4-(4-fluoronaphthalene-1-sulfonamido)-N-methyl-1-(2-methyl-1,3-benzoxazole-6-carbonyl)-L-prolinamide	non-polymer		510.5	4	Chemie (A1C9M)
5	N, O, P, Q (A, B, C, D)	water	water		18.0	75	Chemie (HOH)

Sequence modifications

A, B, C, D: 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	4
	Total formula weight	179358.8
Branched	Number of molecules	4
	Total formula weight	1697.6
Non-Polymers*	Number of molecules	5
	Total formula weight	2134.2
All*	Total formula weight	183190.6

*Water molecules are not included.