9RM3

Crystal structure of human CD22 Ig domains 1-3 in complex with modified sialoside 17

This is a non-PDB format compatible entry.

Entity

Entity ID	Chain ID	Description	Type	Chain length	Formula weight	Number of molecules	DB Name (Accession)	Biological source	Descriptive keywords
1	A, B, C, D (A, B, C, D)	B-cell receptor CD22	polymer	324	36660.3	4	UniProt (P20273)	Homo sapiens (human)	B-lymphocyte cell adhesion molecule,BL-CAM,Sialic acid-binding Ig-like lectin 2,Siglec-2,T-cell surface antigen Leu-14
2	E, F, G, H (E, H, K, N)	beta-D-mannopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose	branched		586.5	4	In PDB GlyTouCan (G15407YE)
3	I, K, N (A, B, C)	SULFATE ION	non-polymer		96.1	3	Chemie (SO4)
4	J, L, M, O (A, B, C, D)	(2R,4S,5R,6R)-5-acetamido-2-[[(2R,3R,4S,5R,6S)-6-[(2R,3S,4R,5R,6R)-5-acetamido-6-(2-azanylethoxy)-2-(hydroxymethyl)-4-oxidanyl-oxan-3-yl]oxy-3,4,5-tris(oxidanyl)oxan-2-yl]methoxy]-6-[(1R,2R)-1,2-bis(oxidanyl)-3-[(3-phenoxyphenyl)carbonylamino]propyl]-4-oxidanyl-oxane-2-carboxylic acid	non-polymer		912.9	4	Chemie (A1JJP)

Sequence modifications

A, B, C, D: 20 - 330 (UniProt: P20273)

PDB	External Database	Details
Glu 17	-	expression tag
Thr 18	-	expression tag
Gly 19	-	expression tag
Ala 67	Asn 67	engineered mutation
Ala 112	Asn 112	engineered mutation
Ala 135	Asn 135	engineered mutation
Ala 164	Asn 164	engineered mutation
Ala 231	Asn 231	engineered mutation
Gly 331	-	expression tag
Gly 332	-	expression tag
Thr 333	-	expression tag
Lys 334	-	expression tag
His 335	-	expression tag
His 336	-	expression tag
His 337	-	expression tag
His 338	-	expression tag
His 339	-	expression tag
His 340	-	expression tag

Contents of the asymmetric unit

Polymers	Number of chains	4
	Total formula weight	146641.2
Branched	Number of molecules	4
	Total formula weight	2346.2
Non-Polymers*	Number of molecules	7
	Total formula weight	3939.7
All*	Total formula weight	152927.1

*Water molecules are not included.