9RWV

Crystal structure of the YqiI lectin domain, in complex with oligomannose-3

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, B)	Pilus assembly protein	polymer	210	23525.7	2	UniProt (A0A0P7MFM4)	Escherichia coli	Putative fimbrial adhesin
2	C (D)	alpha-D-mannopyranose-(1-3)-beta-D-mannopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose	branched		748.7	1	In PDB GlyTouCan (G81315DD)
3	D (C)	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	1	In PDB GlyTouCan (G22768VO)
4	E, F, G, H, I... (A, B)	(4S)-2-METHYL-2,4-PENTANEDIOL	non-polymer		118.2	7	Chemie (MPD) PubChem (5288834)
5	L, M (A, B)	water	water		18.0	417	Chemie (HOH)

Sequence modifications

A, B: 1 - 190 (UniProt: A0A0P7MFM4)

PDB	External Database	Details
Gly 191	-	expression tag
Ala 192	-	expression tag
Ala 193	-	expression tag
Ala 194	-	expression tag
Tyr 195	-	expression tag
Pro 196	-	expression tag
Tyr 197	-	expression tag
Asp 198	-	expression tag
Val 199	-	expression tag
Pro 200	-	expression tag
Asp 201	-	expression tag
Tyr 202	-	expression tag
Gly 203	-	expression tag
Ser 204	-	expression tag
His 205	-	expression tag
His 206	-	expression tag
His 207	-	expression tag
His 208	-	expression tag
His 209	-	expression tag
His 210	-	expression tag

Contents of the asymmetric unit

Polymers	Number of chains	2
	Total formula weight	47051.4
Branched	Number of molecules	2
	Total formula weight	1659.5
Non-Polymers*	Number of molecules	7
	Total formula weight	827.2
All*	Total formula weight	49538.1

*Water molecules are not included.