8HW8

Crystal structure of Heterodera glycines chitinase 2 D129A/E131A mutant in complex with nodulation factor SmNF-V (C16:2, S)

Entity

Entity ID	Chain ID	Description	Type	Chain length	Formula weight	Number of molecules	DB Name (Accession)	Biological source	Descriptive keywords
1	A (A)	Chitinase	polymer	356	39279.6	1	UniProt (Q8I6X8) Pfam (PF00704)	Heterodera glycines (soybean cyst nematode)
2	B (D)	2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-6-O-sulfo-beta-D-glucopyranose	branched		910.8	1	In PDB
3	C (C)	2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose	branched		424.4	1	In PDB GlyTouCan (G42666HT)
4	D (A)	(2~{Z},9~{E})-~{N}-[(2~{R},3~{S},4~{R},5~{S},6~{S})-6-(hydroxymethyl)-2,4,5-tris(oxidanyl)oxan-3-yl]hexadeca-2,9-dienamide	non-polymer		413.5	1	Chemie (68X)
5	E (A)	DI(HYDROXYETHYL)ETHER	non-polymer		106.1	1	Chemie (PEG)
6	F (A)	water	water		18.0	287	Chemie (HOH)

Sequence modifications

A: 1 - 350 (UniProt: Q8I6X8)

PDB	External Database	Details
Ala 129	Asp 129	engineered mutation
Ala 131	Glu 131	engineered mutation
His 351	-	expression tag
His 352	-	expression tag
His 353	-	expression tag
His 354	-	expression tag
His 355	-	expression tag
His 356	-	expression tag

Contents of the asymmetric unit

Polymers	Number of chains	1
	Total formula weight	39279.6
Branched	Number of molecules	2
	Total formula weight	1335.3
Non-Polymers*	Number of molecules	2
	Total formula weight	519.7
All*	Total formula weight	41134.5

*Water molecules are not included.