7UNY

Crystal structure of D2 nanobody in complex with PfCSS

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, D)	Cysteine-rich small secreted protein CSS	polymer	289	33384.2	2	UniProt (Q8IM47)	Plasmodium falciparum (malaria parasite P. falciparum)
2	C, D (B, C)	D2 Nanobody	polymer	130	14171.4	2		Vicugna pacos
3	E, G, H, J (E, G, H, J)	alpha-D-mannopyranose-(1-3)-[alpha-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		910.8	4	In PDB GlyTouCan (G22768VO)
4	F, I (F, I)	2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose	branched		424.4	2	In PDB GlyTouCan (G42666HT)
5	K (A)	2-acetamido-2-deoxy-beta-D-glucopyranose	non-polymer		221.2	1	Chemie (NAG)

Sequence modifications

A, D: 21 - 290 (UniProt: Q8IM47)

PDB	External Database	Details
Gly 19	-	expression tag
Thr 20	-	expression tag
Ala 263	Thr 263	engineered mutation
Leu 291	-	expression tag
Glu 292	-	expression tag
Asn 293	-	expression tag
Leu 294	-	expression tag
Tyr 295	-	expression tag
Phe 296	-	expression tag
Gln 297	-	expression tag
Gly 298	-	expression tag
Asp 299	-	expression tag
Tyr 300	-	expression tag
Lys 301	-	expression tag
Asp 302	-	expression tag
Asp 303	-	expression tag
Asp 304	-	expression tag
Asp 305	-	expression tag
Lys 306	-	expression tag
His 307	-	expression tag

Contents of the asymmetric unit

Polymers	Number of chains	4
	Total formula weight	95111.2
Branched	Number of molecules	6
	Total formula weight	4492.1
Non-Polymers*	Number of molecules	1
	Total formula weight	221.2
All*	Total formula weight	99824.5

*Water molecules are not included.