7UNZ

Crystal structure of H2 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 (B, D)	Cysteine-rich small secreted protein CSS, putative	polymer	279	32224.0	2	UniProt (Q8IM47)	Plasmodium falciparum (malaria parasite P. falciparum)
2	C, D (C, A)	H2 Nanobody	polymer	126	13474.7	2		Vicugna pacos
3	E, F, G, I (E, F, G, I)	2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose	branched		424.4	4	In PDB GlyTouCan (G42666HT)
4	H (H)	beta-D-mannopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose	branched		586.5	1	In PDB GlyTouCan (G15407YE)
5	J, K, R, S, U (B, D)	2-acetamido-2-deoxy-beta-D-glucopyranose	non-polymer		221.2	5	Chemie (NAG)
6	L, T (B, D)	MALONATE ION	non-polymer		102.0	2	Chemie (MLI)
7	M, N, O, P, Q... (B, D, A)	1,2-ETHANEDIOL	non-polymer		62.1	9	Chemie (EDO)
8	AA, BA, CA, Z (D, C, A, B)	water	water		18.0	511	Chemie (HOH)

Sequence modifications

B, 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

Contents of the asymmetric unit

Polymers	Number of chains	4
	Total formula weight	91397.5
Branched	Number of molecules	5
	Total formula weight	2284.1
Non-Polymers*	Number of molecules	16
	Total formula weight	1868.7
All*	Total formula weight	95550.4

*Water molecules are not included.