2XQR

Crystal structure of plant cell wall invertase in complex with a specific protein inhibitor

Entity

Entity ID	Chain ID	Description	Type	Chain length	Formula weight	Number of molecules	DB Name (Accession)	Biological source	Descriptive keywords
1	A, C, E, G, I... (A, C, E, G, I...)	BETA-FRUCTOFURANOSIDASE, INSOLUBLE ISOENZYME CWINV1	polymer	537	61103.0	6	UniProt (Q43866) Pfam (PF00251) Pfam (PF08244)	ARABIDOPSIS THALIANA (THALE CRESS)	CELL WALL INVERTASE 1, SUCROSE HYDROLASE 1, CELL WALL BETA-FRUCTOSIDASE 1
2	B, D, F, H, J... (B, D, F, H, J...)	INVERTASE INHIBITOR	polymer	149	15900.2	6	UniProt (O49908) Pfam (PF04043)	NICOTIANA TABACUM (COMMON TOBACCO)
3	M, O, Q, S, U... (M, O, Q, S, U...)	alpha-D-mannopyranose-(1-2)-alpha-D-mannopyranose-(1-3)-[beta-D-mannopyranose-(1-6)]beta-D-mannopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose	branched		1073.0	6	In PDB GlyTouCan (G89333WS)
4	N, P, R, T, V... (N, P, R, T, V...)	2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose	branched		424.4	6	In PDB GlyTouCan (G42666HT)
5	DA, HA, LA, PA, TA... (C, E, G, I, K...)	beta-D-fructofuranose	non-polymer		180.2	6	Chemie (FRU)
6	CA, EA, IA, MA, QA... (B, C, E, G, I...)	SULFATE ION	non-polymer		96.1	7	Chemie (SO4)
7	AA, FA, JA, NA, RA... (A, C, E, G, I...)	2-acetamido-2-deoxy-beta-D-glucopyranose	non-polymer		221.2	6	Chemie (NAG)
8	BA, GA, KA, OA, SA... (B, D, F, H, J...)	4-(2-HYDROXYETHYL)-1-PIPERAZINE ETHANESULFONIC ACID	non-polymer		238.3	6	Chemie (EPE)
9	AB, BB, CB, DB, EB... (D, E, F, G, H...)	water	water		18.0	791	Chemie (HOH)

Sequence modifications

B, D, F, H, J, L: 0 - 147 (UniProt: O49908)

PDB	External Database	Details
Gly -1	-	expression tag

Contents of the asymmetric unit

Polymers	Number of chains	12
	Total formula weight	462019.5
Branched	Number of molecules	12
	Total formula weight	8984.2
Non-Polymers*	Number of molecules	25
	Total formula weight	4510.5
All*	Total formula weight	475514.1

*Water molecules are not included.